A2665/0113555
TL;DR: A2665/0113555 (CAS 442629-94-9) is a chemical compound with molecular formula C16H17F4N3O3S and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide
Also Known As: A2665/0113555, N-[3-Cyano-4-methyl-5-(1-piperidinylcarbonyl)-2-thienyl]-2,3,3,3-tetrafluoro-2-methoxypropanamide, N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide, N-[3-Cyano-4-methyl-5-(1-piperidinylcarbonyl)-2-thienyl]-2,3,3,3-tetrafluoro-2-methoxypropanamide #, N-[3-cyano-4-methyl-5-(piperidin-1-ylcarbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide
| Molecular Formula | C16H17F4N3O3S |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.09268 |
| Heavy Atoms | 27 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 442629-94-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C(C(F)(F)F)(OC)F)C(=O)N2CCCCC2 |
| InChIKey | UKEKDXCEMCJARX-UHFFFAOYSA-N |
Product Overview
A2665/0113555 (CAS 442629-94-9), with molecular formula C16H17F4N3O3S and molecular weight 407.09 g/mol. IUPAC: N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide.
Chemical Property Profile of A2665/0113555
Property Insights of A2665/0113555
The XLogP value of 3.7 indicates that A2665/0113555 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A2665/0113555. Following Lipinski's Rule of Five, A2665/0113555 has 1 hydrogen bond donor(s) and 9 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 A2665/0113555?
The CAS number of A2665/0113555 is 442629-94-9.
What is the molecular formula of A2665/0113555?
The molecular formula of A2665/0113555 is C16H17F4N3O3S.
What is the molecular weight of A2665/0113555?
The molecular weight of A2665/0113555 is 407.09 g/mol.
Where can I buy A2665/0113555?
You can request a quote for A2665/0113555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2665/0113555?
Yes, KEHONG BIO provides custom synthesis services for A2665/0113555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.