N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine
TL;DR: N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine (CAS 5331-45-3) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxyamino)-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid
Also Known As: NCI60_001865, N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine, 3-(hydroxyamino)-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 5331-45-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NO)C(=O)O |
| InChIKey | FQZCOJKPKPETLX-UHFFFAOYSA-N |
Product Overview
N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine (CAS 5331-45-3), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: 3-(hydroxyamino)-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid.
Chemical Property Profile of N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine
Property Insights of N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine. Following Lipinski's Rule of Five, N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine has 4 hydrogen bond donor(s) and 4 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-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine?
The CAS number of N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine is 5331-45-3.
What is the molecular formula of N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine?
The molecular formula of N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine is C12H12N2O4.
What is the molecular weight of N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine?
The molecular weight of N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine is 248.08 g/mol.
Where can I buy N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine?
You can request a quote for N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine?
Yes, KEHONG BIO provides custom synthesis services for N-hydroxy-2-(1H-indol-3-ylmethyl)-3-oxo--alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.