RefChem:314723
TL;DR: RefChem:314723 (CAS 38479-08-2) is a chemical compound with molecular formula C22H24ClNO5S and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Also Known As: 17-Chloro-10-demethoxy-10-methylthiocolchicine, Acetamide, 2-chloro-N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-, 2-chloro-n-[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, 2-chloro-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide, Acetamide, 2-chloro-N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenz[a]heptalen-7-yl]-, (S)-
| Molecular Formula | C22H24ClNO5S |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.10638 |
| Heavy Atoms | 30 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 38479-08-2 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)CCl)OC)OC |
| InChIKey | WRQYTVSIGKEZEJ-UHFFFAOYSA-N |
Product Overview
RefChem:314723 (CAS 38479-08-2), with molecular formula C22H24ClNO5S and molecular weight 449.11 g/mol. IUPAC: 2-chloro-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide.
Chemical Property Profile of RefChem:314723
Property Insights of RefChem:314723
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314723. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:314723. Following Lipinski's Rule of Five, RefChem:314723 has 1 hydrogen bond donor(s) and 6 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:314723?
The CAS number of RefChem:314723 is 38479-08-2.
What is the molecular formula of RefChem:314723?
The molecular formula of RefChem:314723 is C22H24ClNO5S.
What is the molecular weight of RefChem:314723?
The molecular weight of RefChem:314723 is 449.11 g/mol.
Where can I buy RefChem:314723?
You can request a quote for RefChem:314723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314723?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.