A3028/0127716
TL;DR: A3028/0127716 (CAS 488093-17-0) is a chemical compound with molecular formula C16H16F3N3O3 and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-4-amino-3-cyano-2-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)pent-3-enoate
Also Known As: A3028/0127716, (R,Z)-methyl 4-amino-3-cyano-2-(4-methylbenzamido)-2-(trifluoromethyl)pent-3-enoate, methyl (Z)-4-amino-3-cyano-2-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)pent-3-enoate
| Molecular Formula | C16H16F3N3O3 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 1.9552 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.11438 |
| Heavy Atoms | 25 |
| Complexity | 744.61896 |
Chemical Identifiers
| CAS Number | 488093-17-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(/C(=C(\C)/N)/C#N)(C(=O)OC)C(F)(F)F |
Product Overview
A3028/0127716 (CAS 488093-17-0), with molecular formula C16H16F3N3O3 and molecular weight 355.11 g/mol. IUPAC: methyl (Z)-4-amino-3-cyano-2-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)pent-3-enoate.
Chemical Property Profile of A3028/0127716
Property Insights of A3028/0127716
The XLogP value of 1.9552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3028/0127716. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for A3028/0127716. Following Lipinski's Rule of Five, A3028/0127716 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 A3028/0127716?
The CAS number of A3028/0127716 is 488093-17-0.
What is the molecular formula of A3028/0127716?
The molecular formula of A3028/0127716 is C16H16F3N3O3.
What is the molecular weight of A3028/0127716?
The molecular weight of A3028/0127716 is 355.11 g/mol.
Where can I buy A3028/0127716?
You can request a quote for A3028/0127716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3028/0127716?
Yes, KEHONG BIO provides custom synthesis services for A3028/0127716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.