ChemDiv1_005929
TL;DR: ChemDiv1_005929 (CAS 337505-06-3) is a chemical compound with molecular formula C20H21N3OS and molecular weight 351.14 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-methylphenyl)acetamide
Also Known As: ChemDiv1_005929, BAS 01377440, A2325/0098075, 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide, 2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)-N-(p-tolyl)acetamide
| Molecular Formula | C20H21N3OS |
|---|---|
| Molecular Weight | 351.14 g/mol |
| LogP | 4.2614 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.14053 |
| Heavy Atoms | 25 |
| Complexity | 808.92633 |
Chemical Identifiers
| CAS Number | 337505-06-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=C(C=C3CCCCCC3=N2)C#N |
Product Overview
ChemDiv1_005929 (CAS 337505-06-3), with molecular formula C20H21N3OS and molecular weight 351.14 g/mol. IUPAC: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of ChemDiv1_005929
Property Insights of ChemDiv1_005929
The XLogP value of 4.2614 indicates that ChemDiv1_005929 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005929. Following Lipinski's Rule of Five, ChemDiv1_005929 has 1 hydrogen bond donor(s) and 4 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_005929?
The CAS number of ChemDiv1_005929 is 337505-06-3.
What is the molecular formula of ChemDiv1_005929?
The molecular formula of ChemDiv1_005929 is C20H21N3OS.
What is the molecular weight of ChemDiv1_005929?
The molecular weight of ChemDiv1_005929 is 351.14 g/mol.
Where can I buy ChemDiv1_005929?
You can request a quote for ChemDiv1_005929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005929?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.