RefChem:1100604
TL;DR: RefChem:1100604 (CAS 86132-12-9) is a chemical compound with molecular formula C35H60N2O9 and molecular weight 652.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Also Known As: Tylonolide, 23-deoxy-23-(ethyl(2-hydroxyethyl)amino)-5-O-(3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)-, 2-[(11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde, RefChem:1100604
| Molecular Formula | C35H60N2O9 |
|---|---|
| Molecular Weight | 652.43 g/mol |
| LogP | 2.7535 |
| Topological Polar Surface Area | 146.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 652.4299 |
| Heavy Atoms | 46 |
| Complexity | 1018.027 |
Chemical Identifiers
| CAS Number | 86132-12-9 |
|---|---|
| SMILES | CCC1C(/C=C(/C=C\C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(CC(O2)C)N(C)C)O)CC=O)C)\C)CN(CC)CCO |
Product Overview
RefChem:1100604 (CAS 86132-12-9), with molecular formula C35H60N2O9 and molecular weight 652.43 g/mol. IUPAC: 2-[(11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[ethyl(2-hydroxyethyl)amino]methyl]-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde.
Chemical Property Profile of RefChem:1100604
Property Insights of RefChem:1100604
The XLogP value of 2.7535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1100604. The TPSA of 146.07 Ų indicates high polarity, suggesting RefChem:1100604 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1100604 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1100604?
The CAS number of RefChem:1100604 is 86132-12-9.
What is the molecular formula of RefChem:1100604?
The molecular formula of RefChem:1100604 is C35H60N2O9.
What is the molecular weight of RefChem:1100604?
The molecular weight of RefChem:1100604 is 652.43 g/mol.
Where can I buy RefChem:1100604?
You can request a quote for RefChem:1100604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100604?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.