RefChem:1100605
TL;DR: RefChem:1100605 (CAS 98829-66-4) is a chemical compound with molecular formula C36H62N2O9 and molecular weight 666.45 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-methoxyethyl)amino]methyl]-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Also Known As: 4',23-Dideoxy-23-N-ethyl-23-(2-methoxyethylamino)mycaminosyl tylonolide, Tylonolide, 23-deoxy-23-(ethyl(2-methoxyethyl)amino)-5-O-(3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)-, hydrate (2:3), 2-[(11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[ethyl(2-methoxyethyl)amino]methyl]-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde, RefChem:1100605
| Molecular Formula | C36H62N2O9 |
|---|---|
| Molecular Weight | 666.45 g/mol |
| LogP | 3.4076 |
| Topological Polar Surface Area | 135.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 666.44556 |
| Heavy Atoms | 47 |
| Complexity | 1033.9275 |
Chemical Identifiers
| CAS Number | 98829-66-4 |
|---|---|
| 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)CCOC |
Product Overview
RefChem:1100605 (CAS 98829-66-4), with molecular formula C36H62N2O9 and molecular weight 666.45 g/mol. IUPAC: 2-[(11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[ethyl(2-methoxyethyl)amino]methyl]-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde.
Chemical Property Profile of RefChem:1100605
Property Insights of RefChem:1100605
The XLogP value of 3.4076 indicates that RefChem:1100605 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1100605. Following Lipinski's Rule of Five, RefChem:1100605 has 2 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:1100605?
The CAS number of RefChem:1100605 is 98829-66-4.
What is the molecular formula of RefChem:1100605?
The molecular formula of RefChem:1100605 is C36H62N2O9.
What is the molecular weight of RefChem:1100605?
The molecular weight of RefChem:1100605 is 666.45 g/mol.
Where can I buy RefChem:1100605?
You can request a quote for RefChem:1100605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100605?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.