methyl N-(benzylcarbamoyl)-L-tryptophanate
TL;DR: methyl N-(benzylcarbamoyl)-L-tryptophanate (CAS 956048-77-4) is a chemical compound with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanoate
Also Known As: methyl N-(benzylcarbamoyl)-L-tryptophanate, (S)-methyl 2-(3-benzylureido)-3-(1H-indol-3-yl)propanoate, methyl (2S)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanoate
| Molecular Formula | C20H21N3O3 |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | 2.7514 |
| Topological Polar Surface Area | 83.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.1583 |
| Heavy Atoms | 26 |
| Complexity | 889.4675 |
Chemical Identifiers
| CAS Number | 956048-77-4 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)NCC3=CC=CC=C3 |
Product Overview
methyl N-(benzylcarbamoyl)-L-tryptophanate (CAS 956048-77-4), with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol. IUPAC: methyl (2S)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of methyl N-(benzylcarbamoyl)-L-tryptophanate
Property Insights of methyl N-(benzylcarbamoyl)-L-tryptophanate
The XLogP value of 2.7514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(benzylcarbamoyl)-L-tryptophanate. The TPSA of 83.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(benzylcarbamoyl)-L-tryptophanate. Following Lipinski's Rule of Five, methyl N-(benzylcarbamoyl)-L-tryptophanate has 3 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-(benzylcarbamoyl)-L-tryptophanate?
The CAS number of methyl N-(benzylcarbamoyl)-L-tryptophanate is 956048-77-4.
What is the molecular formula of methyl N-(benzylcarbamoyl)-L-tryptophanate?
The molecular formula of methyl N-(benzylcarbamoyl)-L-tryptophanate is C20H21N3O3.
What is the molecular weight of methyl N-(benzylcarbamoyl)-L-tryptophanate?
The molecular weight of methyl N-(benzylcarbamoyl)-L-tryptophanate is 351.16 g/mol.
Where can I buy methyl N-(benzylcarbamoyl)-L-tryptophanate?
You can request a quote for methyl N-(benzylcarbamoyl)-L-tryptophanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(benzylcarbamoyl)-L-tryptophanate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(benzylcarbamoyl)-L-tryptophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.