ChemDiv1_002723
TL;DR: ChemDiv1_002723 (CAS 5808-13-9) is a chemical compound with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: ChemDiv1_002723, CBKinase1_001262, CBKinase1_013662, BAS 01127713, AB00097795-01
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 3.96158 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 828.1853 |
Chemical Identifiers
| CAS Number | 5808-13-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=C(C=C3CCCCCC3=N2)C#N |
Product Overview
ChemDiv1_002723 (CAS 5808-13-9), with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol. IUPAC: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv1_002723
Property Insights of ChemDiv1_002723
The XLogP value of 3.96158 indicates that ChemDiv1_002723 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002723. Following Lipinski's Rule of Five, ChemDiv1_002723 has 1 hydrogen bond donor(s) and 5 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_002723?
The CAS number of ChemDiv1_002723 is 5808-13-9.
What is the molecular formula of ChemDiv1_002723?
The molecular formula of ChemDiv1_002723 is C20H21N3O2S.
What is the molecular weight of ChemDiv1_002723?
The molecular weight of ChemDiv1_002723 is 367.14 g/mol.
Where can I buy ChemDiv1_002723?
You can request a quote for ChemDiv1_002723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002723?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.