N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine
TL;DR: N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine (CAS 956181-14-9) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
Also Known As: N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine, (S)-2-(3-(2-(1H-indol-3-yl)ethyl)ureido)-4-(methylthio)butanoic acid, 2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoic Acid, (2S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid, (2S)-2-[({[2-(1H-INDOL-3-YL)ETHYL]AMINO}CARBONYL)AMINO]-4-(METHYLSULFANYL)BUTANOIC ACID
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 2.2159 |
| Topological Polar Surface Area | 94.22 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 671.38916 |
Chemical Identifiers
| CAS Number | 956181-14-9 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)NCCC1=CNC2=CC=CC=C21 |
Product Overview
N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine (CAS 956181-14-9), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: (2S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine
Property Insights of N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine
The XLogP value of 2.2159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine. The TPSA of 94.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine. Following Lipinski's Rule of Five, N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine has 4 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 N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine?
The CAS number of N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine is 956181-14-9.
What is the molecular formula of N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine?
The molecular formula of N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine is C16H21N3O3S.
What is the molecular weight of N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine?
The molecular weight of N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine is 335.13 g/mol.
Where can I buy N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine?
You can request a quote for N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine?
Yes, KEHONG BIO provides custom synthesis services for N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-methionine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.