METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE
TL;DR: METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE (CAS 1272755-70-0) is a chemical compound with molecular formula C10H7F6NO3S and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3,3,3-trifluoro-2-thiophen-2-yl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Also Known As: METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE, Methyl (2S)-3,3,3-trifluoro-2-(thiophen-2-yl)-2-(2,2,2-trifluoroacetamido)propanoate, methyl (2S)-3,3,3-trifluoro-2-thiophen-2-yl-2-[(2,2,2-trifluoroacetyl)amino]propanoate, 2-Thiopheneacetic acid, I+/--[(2,2,2-trifluoroacetyl)amino]-I+/--(trifluoromethyl)-, methyl ester, (I+/-S)-
| Molecular Formula | C10H7F6NO3S |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 2.3572 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.0051 |
| Heavy Atoms | 21 |
| Complexity | 523.8856 |
Chemical Identifiers
| CAS Number | 1272755-70-0 |
|---|---|
| SMILES | COC(=O)[C@@](C1=CC=CS1)(C(F)(F)F)NC(=O)C(F)(F)F |
Product Overview
METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE (CAS 1272755-70-0), with molecular formula C10H7F6NO3S and molecular weight 335.01 g/mol. IUPAC: methyl (2S)-3,3,3-trifluoro-2-thiophen-2-yl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
Chemical Property Profile of METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE
Property Insights of METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE
The XLogP value of 2.3572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE. With a topological polar surface area (TPSA) of 55.4 Ų, METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE has 1 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 METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE?
The CAS number of METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE is 1272755-70-0.
What is the molecular formula of METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE?
The molecular formula of METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE is C10H7F6NO3S.
What is the molecular weight of METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE?
The molecular weight of METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE is 335.01 g/mol.
Where can I buy METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE?
You can request a quote for METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 3,3,3-TRIFLUORO-2-THIEN-2-YL-N-(TRIFLUOROACETYL)ALANINATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.