ChemDiv1_009110
TL;DR: ChemDiv1_009110 (CAS 6139-20-4) is a chemical compound with molecular formula C22H20N4O2S3 and molecular weight 468.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxo-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)butanamide
Also Known As: ChemDiv1_009110, F1174-1959, AB00685716-01, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxo-4-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}butanamide, N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-oxo-4-(5,6,7-trihydrocy clopenta[1,2-d]pyrimidino[4,5-b]thiophen-4-ylthio)butanamide
| Molecular Formula | C22H20N4O2S3 |
|---|---|
| Molecular Weight | 468.07 g/mol |
| LogP | 4.68198 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.07483 |
| Heavy Atoms | 31 |
| Complexity | 1237.8213 |
Chemical Identifiers
| CAS Number | 6139-20-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CC(=O)CSC3=NC=NC4=C3C5=C(S4)CCC5)C#N |
Product Overview
ChemDiv1_009110 (CAS 6139-20-4), with molecular formula C22H20N4O2S3 and molecular weight 468.07 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxo-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)butanamide.
Chemical Property Profile of ChemDiv1_009110
Property Insights of ChemDiv1_009110
The XLogP value of 4.68198 indicates that ChemDiv1_009110 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009110. Following Lipinski's Rule of Five, ChemDiv1_009110 has 1 hydrogen bond donor(s) and 8 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_009110?
The CAS number of ChemDiv1_009110 is 6139-20-4.
What is the molecular formula of ChemDiv1_009110?
The molecular formula of ChemDiv1_009110 is C22H20N4O2S3.
What is the molecular weight of ChemDiv1_009110?
The molecular weight of ChemDiv1_009110 is 468.07 g/mol.
Where can I buy ChemDiv1_009110?
You can request a quote for ChemDiv1_009110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009110?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.