![methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate structure](/static/products/117/1173665-68-3.png)
methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate
TL;DR: methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate (CAS 1173665-68-3) is a chemical compound with molecular formula C17H16ClFN2O3 and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoate
Also Known As: methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate, (S)-methyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-3-phenylpropanoate, methyl (2S)-2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoate
| Molecular Formula | C17H16ClFN2O3 |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 3.3849 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.08334 |
| Heavy Atoms | 24 |
| Complexity | 725.0305 |
Chemical Identifiers
| CAS Number | 1173665-68-3 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC2=CC(=C(C=C2)F)Cl |
Product Overview
methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate (CAS 1173665-68-3), with molecular formula C17H16ClFN2O3 and molecular weight 350.08 g/mol. IUPAC: methyl (2S)-2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoate.
Chemical Property Profile of methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate
Property Insights of methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate
The XLogP value of 3.3849 indicates that methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate. Following Lipinski's Rule of Five, methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate has 2 hydrogen bond donor(s) and 3 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 methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate?
The CAS number of methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate is 1173665-68-3.
What is the molecular formula of methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate?
The molecular formula of methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate is C17H16ClFN2O3.
What is the molecular weight of methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate?
The molecular weight of methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate is 350.08 g/mol.
Where can I buy methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate?
You can request a quote for methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.