A3042/0128394
TL;DR: A3042/0128394 (CAS 489419-80-9) is a chemical compound with molecular formula C18H16Cl2F3N3O3 and molecular weight 449.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[2-(2-methylphenyl)hydrazinyl]propanoate
Also Known As: A3042/0128394, methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[2-(2-methylphenyl)hydrazino]propanoate, methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[2-(2-methylphenyl)hydrazinyl]propanoate, methyl 2-(2,4-dichlorobenzamido)-3,3,3-trifluoro-2-(2-(o-tolyl)hydrazinyl)propanoate, (S)-methyl 2-(2,4-dichlorobenzamido)-3,3,3-trifluoro-2-(2-(o-tolyl)hydrazinyl)propanoate
| Molecular Formula | C18H16Cl2F3N3O3 |
|---|---|
| Molecular Weight | 449.05 g/mol |
| LogP | 4.07992 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.0521 |
| Heavy Atoms | 29 |
| Complexity | 924.7097 |
Chemical Identifiers
| CAS Number | 489419-80-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NNC(C(=O)OC)(C(F)(F)F)NC(=O)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
A3042/0128394 (CAS 489419-80-9), with molecular formula C18H16Cl2F3N3O3 and molecular weight 449.05 g/mol. IUPAC: methyl 2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-2-[2-(2-methylphenyl)hydrazinyl]propanoate.
Chemical Property Profile of A3042/0128394
Property Insights of A3042/0128394
The XLogP value of 4.07992 indicates that A3042/0128394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for A3042/0128394. Following Lipinski's Rule of Five, A3042/0128394 has 3 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 A3042/0128394?
The CAS number of A3042/0128394 is 489419-80-9.
What is the molecular formula of A3042/0128394?
The molecular formula of A3042/0128394 is C18H16Cl2F3N3O3.
What is the molecular weight of A3042/0128394?
The molecular weight of A3042/0128394 is 449.05 g/mol.
Where can I buy A3042/0128394?
You can request a quote for A3042/0128394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3042/0128394?
Yes, KEHONG BIO provides custom synthesis services for A3042/0128394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.