4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid
TL;DR: 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid (CAS 126414-90-2) 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.
4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid
Also Known As: Monatin, (2S,4S)-Monatin, (-)-Monatin, 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid, 2-hydroxy-2-(indol-3-ylmethyl)-4aminoglutaric 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 | 126414-90-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC(CC(C(=O)O)N)(C(=O)O)O |
Product Overview
4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid (CAS 126414-90-2), with molecular formula C14H16N2O5 and molecular weight 292.11 g/mol. IUPAC: 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid.
Chemical Property Profile of 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid
Property Insights of 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid
The XLogP value of 0.3281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid. The TPSA of 136.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid. Following Lipinski's Rule of Five, 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic 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 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid?
The CAS number of 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid is 126414-90-2.
What is the molecular formula of 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid?
The molecular formula of 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid is C14H16N2O5.
What is the molecular weight of 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid?
The molecular weight of 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid is 292.11 g/mol.
Where can I buy 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid?
You can request a quote for 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.