(S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate
TL;DR: (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate (CAS 1173671-86-7) is a chemical compound with molecular formula C18H19FN2O3 and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate
Also Known As: (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate
| Molecular Formula | C18H19FN2O3 |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 2.4092 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.13797 |
| Heavy Atoms | 24 |
| Complexity | 674.42303 |
Chemical Identifiers
| CAS Number | 1173671-86-7 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCC2=CC=C(C=C2)F |
Product Overview
(S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate (CAS 1173671-86-7), with molecular formula C18H19FN2O3 and molecular weight 330.14 g/mol. IUPAC: methyl (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate.
Chemical Property Profile of (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate
Property Insights of (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate
The XLogP value of 2.4092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate 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 (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate?
The CAS number of (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate is 1173671-86-7.
What is the molecular formula of (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate?
The molecular formula of (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate is C18H19FN2O3.
What is the molecular weight of (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate?
The molecular weight of (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate is 330.14 g/mol.
Where can I buy (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate?
You can request a quote for (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.