A2336/0098602
TL;DR: A2336/0098602 (CAS 374542-40-2) is a chemical compound with molecular formula C20H17F6N3OS and molecular weight 461.10 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]benzamide
Also Known As: A2336/0098602, 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)benzamide, N-[2-({3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}AMINO)-1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL]BENZAMIDE, 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]benzamide, 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}benzamide
| Molecular Formula | C20H17F6N3OS |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 5.55148 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.09964 |
| Heavy Atoms | 31 |
| Complexity | 977.3148 |
Chemical Identifiers
| CAS Number | 374542-40-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC=CC=C3 |
Product Overview
A2336/0098602 (CAS 374542-40-2), with molecular formula C20H17F6N3OS and molecular weight 461.10 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]benzamide.
Chemical Property Profile of A2336/0098602
Property Insights of A2336/0098602
The XLogP value of 5.55148 indicates that A2336/0098602 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for A2336/0098602. Following Lipinski's Rule of Five, A2336/0098602 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2336/0098602?
The CAS number of A2336/0098602 is 374542-40-2.
What is the molecular formula of A2336/0098602?
The molecular formula of A2336/0098602 is C20H17F6N3OS.
What is the molecular weight of A2336/0098602?
The molecular weight of A2336/0098602 is 461.10 g/mol.
Where can I buy A2336/0098602?
You can request a quote for A2336/0098602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2336/0098602?
Yes, KEHONG BIO provides custom synthesis services for A2336/0098602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.