ChemDiv3_002572
TL;DR: ChemDiv3_002572 (CAS 400864-35-9) is a chemical compound with molecular formula C21H17N3OS and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-N-naphthalen-2-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
Also Known As: ChemDiv3_002572, Salor-int l224820-1ea, 3-amino-N-(2-naphthyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide, AN-919/15232494, BRD-K11169235-001-01-0
| Molecular Formula | C21H17N3OS |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 4.7727 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.10922 |
| Heavy Atoms | 26 |
| Complexity | 1178.7808 |
Chemical Identifiers
| CAS Number | 400864-35-9 |
|---|---|
| SMILES | C1CC2=CC3=C(N=C2C1)SC(=C3N)C(=O)NC4=CC5=CC=CC=C5C=C4 |
Product Overview
ChemDiv3_002572 (CAS 400864-35-9), with molecular formula C21H17N3OS and molecular weight 359.11 g/mol. IUPAC: 6-amino-N-naphthalen-2-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide.
Chemical Property Profile of ChemDiv3_002572
Property Insights of ChemDiv3_002572
The XLogP value of 4.7727 indicates that ChemDiv3_002572 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002572. Following Lipinski's Rule of Five, ChemDiv3_002572 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 ChemDiv3_002572?
The CAS number of ChemDiv3_002572 is 400864-35-9.
What is the molecular formula of ChemDiv3_002572?
The molecular formula of ChemDiv3_002572 is C21H17N3OS.
What is the molecular weight of ChemDiv3_002572?
The molecular weight of ChemDiv3_002572 is 359.11 g/mol.
Where can I buy ChemDiv3_002572?
You can request a quote for ChemDiv3_002572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002572?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.