ChemDiv1_008254
TL;DR: ChemDiv1_008254 (CAS 315694-61-2) is a chemical compound with molecular formula C19H16N4OS3 and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
Also Known As: ChemDiv1_008254, DivK1c_002894, CDS1_001854, AF-399/15540549, N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
| Molecular Formula | C19H16N4OS3 |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 4.33268 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.0486 |
| Heavy Atoms | 27 |
| Complexity | 1108.5359 |
Chemical Identifiers
| CAS Number | 315694-61-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=NC4=C3C5=C(S4)CCC5 |
Product Overview
ChemDiv1_008254 (CAS 315694-61-2), with molecular formula C19H16N4OS3 and molecular weight 412.05 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide.
Chemical Property Profile of ChemDiv1_008254
Property Insights of ChemDiv1_008254
The XLogP value of 4.33268 indicates that ChemDiv1_008254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008254. Following Lipinski's Rule of Five, ChemDiv1_008254 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 ChemDiv1_008254?
The CAS number of ChemDiv1_008254 is 315694-61-2.
What is the molecular formula of ChemDiv1_008254?
The molecular formula of ChemDiv1_008254 is C19H16N4OS3.
What is the molecular weight of ChemDiv1_008254?
The molecular weight of ChemDiv1_008254 is 412.05 g/mol.
Where can I buy ChemDiv1_008254?
You can request a quote for ChemDiv1_008254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008254?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.