RefChem:332142
TL;DR: RefChem:332142 (CAS 63620-51-9) is a chemical compound with molecular formula C23H27NO6S and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate
Also Known As: N-(Ethoxycarbonyl)deacetylthiocolchicine, N-ethoxycarbonyldeacetylthiocolchicine, 4-14-00-00959 (Beilstein Handbook Reference), NCI60_001991, Carbamic acid, (5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, ethyl ester, (S)-
| Molecular Formula | C23H27NO6S |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.1559 |
| Heavy Atoms | 31 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 63620-51-9 |
|---|---|
| SMILES | CCOC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC |
| InChIKey | SMEGTTUCKYOLLP-INIZCTEOSA-N |
Product Overview
RefChem:332142 (CAS 63620-51-9), with molecular formula C23H27NO6S and molecular weight 445.16 g/mol. IUPAC: ethyl N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate.
Chemical Property Profile of RefChem:332142
Property Insights of RefChem:332142
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:332142. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332142. Following Lipinski's Rule of Five, RefChem:332142 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:332142?
The CAS number of RefChem:332142 is 63620-51-9.
What is the molecular formula of RefChem:332142?
The molecular formula of RefChem:332142 is C23H27NO6S.
What is the molecular weight of RefChem:332142?
The molecular weight of RefChem:332142 is 445.16 g/mol.
Where can I buy RefChem:332142?
You can request a quote for RefChem:332142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332142?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.