(2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid
TL;DR: (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid (CAS 400769-79-1) is a chemical compound with molecular formula C14H16N2O5 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid
Also Known As: (2S,4R)-Monatin, J1.439.001D, (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid, (2R,4S)-4-amino-2-hydroxy-2-[(1H-indol-3-yl)methyl]pentanedioic acid, (2S,4R)-4-Hydroxy-4-(1H-indole-3-ylmethyl)glutamic acid
| Molecular Formula | C14H16N2O5 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 0.3281 |
| Topological Polar Surface Area | 136.64 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.10593 |
| Heavy Atoms | 21 |
| Complexity | 680.80914 |
Chemical Identifiers
| CAS Number | 400769-79-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C[C@@](C[C@@H](C(=O)O)N)(C(=O)O)O |
Product Overview
(2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid (CAS 400769-79-1), with molecular formula C14H16N2O5 and molecular weight 292.11 g/mol. IUPAC: (2R,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid.
Chemical Property Profile of (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid
Property Insights of (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid
The XLogP value of 0.3281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid. The TPSA of 136.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid. Following Lipinski's Rule of Five, (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid has 5 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 (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid?
The CAS number of (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid is 400769-79-1.
What is the molecular formula of (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid?
The molecular formula of (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid is C14H16N2O5.
What is the molecular weight of (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid?
The molecular weight of (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid is 292.11 g/mol.
Where can I buy (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid?
You can request a quote for (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R,4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.