(7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid
TL;DR: (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid (CAS 133499-62-4) is a chemical compound with molecular formula C9H11NO6 and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid
Also Known As: 2,4-Octadienedioic acid, 7-amino-5-formyl-2-hydroxy-, (S)-, 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
| Molecular Formula | C9H11NO6 |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 229.05864 |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 133499-62-4 |
|---|---|
| SMILES | C([C@@H](C(=O)O)N)C(=CO)C=CC(=O)C(=O)O |
| InChIKey | BHPUNZCEYTVDTI-LURJTMIESA-N |
Product Overview
(7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid (CAS 133499-62-4), with molecular formula C9H11NO6 and molecular weight 229.06 g/mol. IUPAC: (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid.
Chemical Property Profile of (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid
Property Insights of (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid
The XLogP value of -2.9 indicates that (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid. Following Lipinski's Rule of Five, (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid has 4 hydrogen bond donor(s) and 7 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 (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid?
The CAS number of (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid is 133499-62-4.
What is the molecular formula of (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid?
The molecular formula of (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid is C9H11NO6.
What is the molecular weight of (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid?
The molecular weight of (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid is 229.06 g/mol.
Where can I buy (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid?
You can request a quote for (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (7S)-7-amino-5-(hydroxymethylidene)-2-oxooct-3-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.