A2335/0098541
TL;DR: A2335/0098541 (CAS 373612-36-3) is a chemical compound with molecular formula C15H16F3N3O4S and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(methoxycarbonylamino)propanoate
Also Known As: A2335/0098541, methyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-((methoxycarbonyl)amino)propanoate, methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(methoxycarbonylamino)propanoate, METHYL 2-[(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(METHOXYCARBONYL)AMINO]PROPANOATE, methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate
| Molecular Formula | C15H16F3N3O4S |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 2.69808 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.08136 |
| Heavy Atoms | 26 |
| Complexity | 756.54333 |
Chemical Identifiers
| CAS Number | 373612-36-3 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C#N)NC(=O)OC |
Product Overview
A2335/0098541 (CAS 373612-36-3), with molecular formula C15H16F3N3O4S and molecular weight 391.08 g/mol. IUPAC: methyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(methoxycarbonylamino)propanoate.
Chemical Property Profile of A2335/0098541
Property Insights of A2335/0098541
The XLogP value of 2.69808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2335/0098541. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for A2335/0098541. Following Lipinski's Rule of Five, A2335/0098541 has 2 hydrogen bond donor(s) and 7 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 A2335/0098541?
The CAS number of A2335/0098541 is 373612-36-3.
What is the molecular formula of A2335/0098541?
The molecular formula of A2335/0098541 is C15H16F3N3O4S.
What is the molecular weight of A2335/0098541?
The molecular weight of A2335/0098541 is 391.08 g/mol.
Where can I buy A2335/0098541?
You can request a quote for A2335/0098541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2335/0098541?
Yes, KEHONG BIO provides custom synthesis services for A2335/0098541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.