![methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate structure](/static/products/956/956046-77-8.png)
methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate
TL;DR: methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate (CAS 956046-77-8) is a chemical compound with molecular formula C17H23N3O3 and molecular weight 317.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-3-methylbutanoate
Also Known As: methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate, (S)-methyl 2-(3-(2-(1H-indol-3-yl)ethyl)ureido)-3-methylbutanoate, methyl (2S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-3-methylbutanoate
| Molecular Formula | C17H23N3O3 |
|---|---|
| Molecular Weight | 317.17 g/mol |
| LogP | 2.2072 |
| Topological Polar Surface Area | 83.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.17395 |
| Heavy Atoms | 23 |
| Complexity | 678.5284 |
Chemical Identifiers
| CAS Number | 956046-77-8 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NCCC1=CNC2=CC=CC=C21 |
Product Overview
methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate (CAS 956046-77-8), with molecular formula C17H23N3O3 and molecular weight 317.17 g/mol. IUPAC: methyl (2S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-3-methylbutanoate.
Chemical Property Profile of methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate
Property Insights of methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate
The XLogP value of 2.2072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate. The TPSA of 83.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate. Following Lipinski's Rule of Five, methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate 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-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate?
The CAS number of methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate is 956046-77-8.
What is the molecular formula of methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate?
The molecular formula of methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate is C17H23N3O3.
What is the molecular weight of methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate?
The molecular weight of methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate is 317.17 g/mol.
Where can I buy methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate?
You can request a quote for methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-L-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.