ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate
TL;DR: ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate (CAS 329182-38-9) is a chemical compound with molecular formula C11H12F3NO5S and molecular weight 327.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate, ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-hydroxypropanoate, ethyl 3,3,3-trifluoro-2-hydroxy-2-(phenylsulfonamido)propanoate
| Molecular Formula | C11H12F3NO5S |
|---|---|
| Molecular Weight | 327.04 g/mol |
| LogP | 0.7789 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.03882 |
| Heavy Atoms | 21 |
| Complexity | 602.0347 |
Chemical Identifiers
| CAS Number | 329182-38-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)C1=CC=CC=C1)O |
Product Overview
ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate (CAS 329182-38-9), with molecular formula C11H12F3NO5S and molecular weight 327.04 g/mol. IUPAC: ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate
Property Insights of ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate
The XLogP value of 0.7789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate 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 ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate?
The CAS number of ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate is 329182-38-9.
What is the molecular formula of ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate?
The molecular formula of ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate is C11H12F3NO5S.
What is the molecular weight of ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate?
The molecular weight of ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate is 327.04 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate?
You can request a quote for ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-2-hydroxy-N-(phenylsulfonyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.