![methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate structure](/static/products/956/956777-56-3.png)
methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate
TL;DR: methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate (CAS 956777-56-3) is a chemical compound with molecular formula C22H25N3O5 and molecular weight 411.18 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-(1H-indol-3-yl)propanoate
Also Known As: methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate, (S)-methyl 2-(3-(3,4-dimethoxybenzyl)ureido)-3-(1H-indol-3-yl)propanoate, methyl (2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanoate
| Molecular Formula | C22H25N3O5 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 2.7686 |
| Topological Polar Surface Area | 101.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.1794 |
| Heavy Atoms | 30 |
| Complexity | 1030.5398 |
Chemical Identifiers
| CAS Number | 956777-56-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC)OC |
Product Overview
methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate (CAS 956777-56-3), with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol. IUPAC: methyl (2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate
Property Insights of methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate
The XLogP value of 2.7686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate. The TPSA of 101.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate. Following Lipinski's Rule of Five, methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate has 3 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 methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate?
The CAS number of methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate is 956777-56-3.
What is the molecular formula of methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate?
The molecular formula of methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate is C22H25N3O5.
What is the molecular weight of methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate?
The molecular weight of methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate is 411.18 g/mol.
Where can I buy methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate?
You can request a quote for methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-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-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(3,4-dimethoxybenzyl)carbamoyl]-L-tryptophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.