2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde
TL;DR: 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde (CAS 1402-83-1) is a chemical compound with molecular formula C46H77NO17 and molecular weight 915.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
Also Known As: 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde
| Molecular Formula | C46H77NO17 |
|---|---|
| Molecular Weight | 915.52 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 915.51917 |
| Heavy Atoms | 64 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 1402-83-1 |
|---|---|
| SMILES | CCC1C(C2C(O2)(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3CC(C(C(O3)C)OC4CC(C(C(O4)C)O)(C)O)N(C)C)CC=O)C)C)COC5C(C(C(C(O5)C)O)OC)OC |
| InChIKey | KZXDKUWSAVUSKI-UHFFFAOYSA-N |
Product Overview
2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde (CAS 1402-83-1), with molecular formula C46H77NO17 and molecular weight 915.52 g/mol. IUPAC: 2-[9-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde.
Chemical Property Profile of 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde
Property Insights of 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde. The TPSA of 231.0 Ų indicates high polarity, suggesting 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde?
The CAS number of 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde is 1402-83-1.
What is the molecular formula of 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde?
The molecular formula of 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde is C46H77NO17.
What is the molecular weight of 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde?
The molecular weight of 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde is 915.52 g/mol.
Where can I buy 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde?
You can request a quote for 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.