![N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan structure](/static/products/956/956047-17-9.png)
N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan
TL;DR: N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan (CAS 956047-17-9) is a chemical compound with molecular formula C21H21N3O7 and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoylamino]-4,5-dimethoxybenzoic acid
Also Known As: N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan, (S)-2-(3-(1-carboxy-2-(1H-indol-3-yl)ethyl)ureido)-4,5-dimethoxybenzoic acid, 2-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoylamino]-4,5-dimethoxy-benzoic acid, 2-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoylamino]-4,5-dimethoxybenzoic acid, 2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoylamino]-4,5-dimethoxybenzoic acid
| Molecular Formula | C21H21N3O7 |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 2.7007 |
| Topological Polar Surface Area | 149.98 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.13794 |
| Heavy Atoms | 31 |
| Complexity | 1139.2039 |
Chemical Identifiers
| CAS Number | 956047-17-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)NC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)OC |
Product Overview
N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan (CAS 956047-17-9), with molecular formula C21H21N3O7 and molecular weight 427.14 g/mol. IUPAC: 2-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoylamino]-4,5-dimethoxybenzoic acid.
Chemical Property Profile of N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan
Property Insights of N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan
The XLogP value of 2.7007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan. The TPSA of 149.98 Ų indicates high polarity, suggesting N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan has 5 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 N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan?
The CAS number of N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan is 956047-17-9.
What is the molecular formula of N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan?
The molecular formula of N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan is C21H21N3O7.
What is the molecular weight of N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan?
The molecular weight of N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan is 427.14 g/mol.
Where can I buy N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan?
You can request a quote for N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-carboxy-4,5-dimethoxyphenyl)carbamoyl]-L-tryptophan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.