ChemDiv1_017212
TL;DR: ChemDiv1_017212 (CAS 500198-76-5) is a chemical compound with molecular formula C20H18N4OS3 and molecular weight 426.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-N-(1,3-thiazol-2-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
Also Known As: ChemDiv1_017212, 3-amino-N-(thiazol-2-yl)-4-(thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-AMINO-N-(1,3-THIAZOL-2-YL)-4-(2-THIENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]THIENO[3,2-E]PYRIDINE-2-CARBOXAMIDE, 3-amino-N-(1,3-thiazol-2-yl)-4-(thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
| Molecular Formula | C20H18N4OS3 |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 5.5847 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.06427 |
| Heavy Atoms | 28 |
| Complexity | 1146.517 |
Chemical Identifiers
| CAS Number | 500198-76-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)N=C3C(=C2C4=CC=CS4)C(=C(S3)C(=O)NC5=NC=CS5)N |
Product Overview
ChemDiv1_017212 (CAS 500198-76-5), with molecular formula C20H18N4OS3 and molecular weight 426.06 g/mol. IUPAC: 6-amino-N-(1,3-thiazol-2-yl)-8-thiophen-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_017212
Property Insights of ChemDiv1_017212
The XLogP value of 5.5847 indicates that ChemDiv1_017212 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_017212. Following Lipinski's Rule of Five, ChemDiv1_017212 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_017212?
The CAS number of ChemDiv1_017212 is 500198-76-5.
What is the molecular formula of ChemDiv1_017212?
The molecular formula of ChemDiv1_017212 is C20H18N4OS3.
What is the molecular weight of ChemDiv1_017212?
The molecular weight of ChemDiv1_017212 is 426.06 g/mol.
Where can I buy ChemDiv1_017212?
You can request a quote for ChemDiv1_017212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017212?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.