(S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate
TL;DR: (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate (CAS 1173663-21-2) is a chemical compound with molecular formula C20H24N2O5 and molecular weight 372.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
Also Known As: (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate, methyl (2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
| Molecular Formula | C20H24N2O5 |
|---|---|
| Molecular Weight | 372.17 g/mol |
| LogP | 2.2873 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.16852 |
| Heavy Atoms | 27 |
| Complexity | 764.2223 |
Chemical Identifiers
| CAS Number | 1173663-21-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OC |
Product Overview
(S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate (CAS 1173663-21-2), with molecular formula C20H24N2O5 and molecular weight 372.17 g/mol. IUPAC: methyl (2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate.
Chemical Property Profile of (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate
Property Insights of (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate
The XLogP value of 2.2873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate 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 (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate?
The CAS number of (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate is 1173663-21-2.
What is the molecular formula of (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate?
The molecular formula of (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate is C20H24N2O5.
What is the molecular weight of (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate?
The molecular weight of (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate is 372.17 g/mol.
Where can I buy (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate?
You can request a quote for (S)-methyl 2-(3-(3,4-dimethoxybenzyl)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-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.