A2501/0106397
TL;DR: A2501/0106397 (CAS 373617-22-2) is a chemical compound with molecular formula C19H16F6N4OS and molecular weight 462.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-4-carboxamide
Also Known As: A2501/0106397, N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide, N-[2-({3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}AMINO)-1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL]PYRIDINE-4-CARBOXAMIDE, N-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-4-carboxamide, N-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}pyridine-4-carboxamide
| Molecular Formula | C19H16F6N4OS |
|---|---|
| Molecular Weight | 462.09 g/mol |
| LogP | 4.94648 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.0949 |
| Heavy Atoms | 31 |
| Complexity | 979.79767 |
Chemical Identifiers
| CAS Number | 373617-22-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC=NC=C3 |
Product Overview
A2501/0106397 (CAS 373617-22-2), with molecular formula C19H16F6N4OS and molecular weight 462.09 g/mol. IUPAC: N-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-4-carboxamide.
Chemical Property Profile of A2501/0106397
Property Insights of A2501/0106397
The XLogP value of 4.94648 indicates that A2501/0106397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.81 Ų falls within the moderate polarity range, balancing permeability and solubility for A2501/0106397. Following Lipinski's Rule of Five, A2501/0106397 has 2 hydrogen bond donor(s) and 5 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 A2501/0106397?
The CAS number of A2501/0106397 is 373617-22-2.
What is the molecular formula of A2501/0106397?
The molecular formula of A2501/0106397 is C19H16F6N4OS.
What is the molecular weight of A2501/0106397?
The molecular weight of A2501/0106397 is 462.09 g/mol.
Where can I buy A2501/0106397?
You can request a quote for A2501/0106397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2501/0106397?
Yes, KEHONG BIO provides custom synthesis services for A2501/0106397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.