(3S)-3,6-diamino-6-oxohexanoic acid
TL;DR: (3S)-3,6-diamino-6-oxohexanoic acid (CAS 213487-90-2) is a chemical compound with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3,6-diamino-6-oxohexanoic acid
Also Known As: L-beta-Homoglutamine, beta-homoglutamine, starbld0000055, (3S)-3,6-diamino-6-oxohexanoic acid, L-beta-homoglutamine-HCl
| Molecular Formula | C6H12N2O3 |
|---|---|
| Molecular Weight | 160.08 g/mol |
| LogP | -0.9461 |
| Topological Polar Surface Area | 106.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.0848 |
| Heavy Atoms | 11 |
| Complexity | 157.90639 |
Chemical Identifiers
| CAS Number | 213487-90-2 |
|---|---|
| SMILES | C(CC(=O)N)[C@@H](CC(=O)O)N |
Product Overview
(3S)-3,6-diamino-6-oxohexanoic acid (CAS 213487-90-2), with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol. IUPAC: (3S)-3,6-diamino-6-oxohexanoic acid.
Chemical Property Profile of (3S)-3,6-diamino-6-oxohexanoic acid
Property Insights of (3S)-3,6-diamino-6-oxohexanoic acid
The XLogP value of -0.9461 indicates that (3S)-3,6-diamino-6-oxohexanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3,6-diamino-6-oxohexanoic acid. Following Lipinski's Rule of Five, (3S)-3,6-diamino-6-oxohexanoic acid 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 (3S)-3,6-diamino-6-oxohexanoic acid?
The CAS number of (3S)-3,6-diamino-6-oxohexanoic acid is 213487-90-2.
What is the molecular formula of (3S)-3,6-diamino-6-oxohexanoic acid?
The molecular formula of (3S)-3,6-diamino-6-oxohexanoic acid is C6H12N2O3.
What is the molecular weight of (3S)-3,6-diamino-6-oxohexanoic acid?
The molecular weight of (3S)-3,6-diamino-6-oxohexanoic acid is 160.08 g/mol.
Where can I buy (3S)-3,6-diamino-6-oxohexanoic acid?
You can request a quote for (3S)-3,6-diamino-6-oxohexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3,6-diamino-6-oxohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3,6-diamino-6-oxohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.