ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate
TL;DR: ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate (CAS 372173-00-7) is a chemical compound with molecular formula C16H16F3N3O4S and molecular weight 403.08 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-(pyridin-2-ylamino)propanoate
Also Known As: Ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate, ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate, ethyl 3,3,3-trifluoro-2-(phenylsulfonamido)-2-(pyridin-2-ylamino)propanoate
| Molecular Formula | C16H16F3N3O4S |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 2.2937 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.08136 |
| Heavy Atoms | 27 |
| Complexity | 876.78845 |
Chemical Identifiers
| CAS Number | 372173-00-7 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=CC=N1)NS(=O)(=O)C2=CC=CC=C2 |
Product Overview
ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate (CAS 372173-00-7), with molecular formula C16H16F3N3O4S and molecular weight 403.08 g/mol. IUPAC: ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate
Property Insights of ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate
The XLogP value of 2.2937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate has 2 hydrogen bond donor(s) and 6 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-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate?
The CAS number of ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate is 372173-00-7.
What is the molecular formula of ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate?
The molecular formula of ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate is C16H16F3N3O4S.
What is the molecular weight of ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate?
The molecular weight of ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate is 403.08 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate?
You can request a quote for ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)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-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-(pyridin-2-ylamino)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.