![L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- structure](/static/products/7633/76338-73-3.webp)
L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-
TL;DR: L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- (CAS 76338-73-3) is a chemical compound with molecular formula C12H13ClF3NO2 and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid
Also Known As: L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-, Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-, (2S)-2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoic acid, L-Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-, N-(2-chloro-4-trifluoromethylphenyl)valine
| Molecular Formula | C12H13ClF3NO2 |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0587 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 76338-73-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC1=C(C=C(C=C1)C(F)(F)F)Cl |
| InChIKey | YKSHSSFDOHACTC-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- (CAS 76338-73-3), with molecular formula C12H13ClF3NO2 and molecular weight 295.06 g/mol. IUPAC: (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid.
Chemical Property Profile of L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-
Property Insights of L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-
The XLogP value of 4.4 indicates that L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- 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 L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-?
The CAS number of L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- is 76338-73-3.
What is the molecular formula of L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-?
The molecular formula of L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- is C12H13ClF3NO2.
What is the molecular weight of L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-?
The molecular weight of L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- is 295.06 g/mol.
Where can I buy L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-?
You can request a quote for L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.