ChemDiv1_016994
TL;DR: ChemDiv1_016994 (CAS 434296-91-0) is a chemical compound with molecular formula C22H19ClN4OS2 and molecular weight 454.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
Also Known As: ChemDiv1_016994, 3-amino-4-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-amino-4-(4-chlorophenyl)-N-(thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
| Molecular Formula | C22H19ClN4OS2 |
|---|---|
| Molecular Weight | 454.07 g/mol |
| LogP | 6.1766 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.06888 |
| Heavy Atoms | 30 |
| Complexity | 1232.7466 |
Chemical Identifiers
| CAS Number | 434296-91-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)N=C3C(=C2C4=CC=C(C=C4)Cl)C(=C(S3)C(=O)NC5=NC=CS5)N |
Product Overview
ChemDiv1_016994 (CAS 434296-91-0), with molecular formula C22H19ClN4OS2 and molecular weight 454.07 g/mol. IUPAC: 6-amino-8-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide.
Chemical Property Profile of ChemDiv1_016994
Property Insights of ChemDiv1_016994
The XLogP value of 6.1766 indicates that ChemDiv1_016994 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016994. Following Lipinski's Rule of Five, ChemDiv1_016994 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_016994?
The CAS number of ChemDiv1_016994 is 434296-91-0.
What is the molecular formula of ChemDiv1_016994?
The molecular formula of ChemDiv1_016994 is C22H19ClN4OS2.
What is the molecular weight of ChemDiv1_016994?
The molecular weight of ChemDiv1_016994 is 454.07 g/mol.
Where can I buy ChemDiv1_016994?
You can request a quote for ChemDiv1_016994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016994?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.