ChemDiv1_016950
TL;DR: ChemDiv1_016950 (CAS 434296-87-4) is a chemical compound with molecular formula C19H18ClN3OS and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(2-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
Also Known As: ChemDiv1_016950, 3-amino-4-(2-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
| Molecular Formula | C19H18ClN3OS |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 4.5667 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.0859 |
| Heavy Atoms | 25 |
| Complexity | 995.98816 |
Chemical Identifiers
| CAS Number | 434296-87-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)N=C3C(=C2C4=CC=CC=C4Cl)C(=C(S3)C(=O)N)N |
Product Overview
ChemDiv1_016950 (CAS 434296-87-4), with molecular formula C19H18ClN3OS and molecular weight 371.09 g/mol. IUPAC: 6-amino-8-(2-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide.
Chemical Property Profile of ChemDiv1_016950
Property Insights of ChemDiv1_016950
The XLogP value of 4.5667 indicates that ChemDiv1_016950 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016950. Following Lipinski's Rule of Five, ChemDiv1_016950 has 2 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_016950?
The CAS number of ChemDiv1_016950 is 434296-87-4.
What is the molecular formula of ChemDiv1_016950?
The molecular formula of ChemDiv1_016950 is C19H18ClN3OS.
What is the molecular weight of ChemDiv1_016950?
The molecular weight of ChemDiv1_016950 is 371.09 g/mol.
Where can I buy ChemDiv1_016950?
You can request a quote for ChemDiv1_016950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016950?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.