ChemDiv1_008733
TL;DR: ChemDiv1_008733 (CAS 314261-34-2) is a chemical compound with molecular formula C22H22N2O4S2 and molecular weight 442.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: ChemDiv1_008733, AF-399/15031074, 10-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, F0863-0354, 10-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C22H22N2O4S2 |
|---|---|
| Molecular Weight | 442.10 g/mol |
| LogP | 4.1249 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.1021 |
| Heavy Atoms | 30 |
| Complexity | 1196.0461 |
Chemical Identifiers
| CAS Number | 314261-34-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C)OC |
Product Overview
ChemDiv1_008733 (CAS 314261-34-2), with molecular formula C22H22N2O4S2 and molecular weight 442.10 g/mol. IUPAC: 10-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of ChemDiv1_008733
Property Insights of ChemDiv1_008733
The XLogP value of 4.1249 indicates that ChemDiv1_008733 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008733. Following Lipinski's Rule of Five, ChemDiv1_008733 has 0 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 ChemDiv1_008733?
The CAS number of ChemDiv1_008733 is 314261-34-2.
What is the molecular formula of ChemDiv1_008733?
The molecular formula of ChemDiv1_008733 is C22H22N2O4S2.
What is the molecular weight of ChemDiv1_008733?
The molecular weight of ChemDiv1_008733 is 442.10 g/mol.
Where can I buy ChemDiv1_008733?
You can request a quote for ChemDiv1_008733 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008733?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.