Valclavam
TL;DR: Valclavam (CAS 5538-10-3) is a chemical compound with molecular formula C14H23N3O6 and molecular weight 329.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxy-4-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)butanoic acid
Also Known As: Valclavam, 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxy-4-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)butanoic acid, valyl-4-(7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-3-yl)threonine, 3-[(2-amino-3-methylbutanoyl)amino]-2-hydroxy-4-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)butanoic acid, 4-Oxa-1-azabicyclo(3.2.0)heptane-3-butanoic acid, beta-((2-amino-3-methyl-1-oxobutyl)amino)-alpha-hydroxy-7-oxo-
| Molecular Formula | C14H23N3O6 |
|---|---|
| Molecular Weight | 329.16 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.1587 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 5538-10-3 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(C(CC1CN2C(O1)CC2=O)O)C(=O)O)N |
| InChIKey | YCGXMNQNHBKSKZ-UHFFFAOYSA-N |
Product Overview
Valclavam (CAS 5538-10-3), with molecular formula C14H23N3O6 and molecular weight 329.16 g/mol. IUPAC: 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxy-4-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)butanoic acid.
Chemical Property Profile of Valclavam
Property Insights of Valclavam
The XLogP value of -3.9 indicates that Valclavam is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting Valclavam may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Valclavam 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 Valclavam?
The CAS number of Valclavam is 5538-10-3.
What is the molecular formula of Valclavam?
The molecular formula of Valclavam is C14H23N3O6.
What is the molecular weight of Valclavam?
The molecular weight of Valclavam is 329.16 g/mol.
Where can I buy Valclavam?
You can request a quote for Valclavam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valclavam?
Yes, KEHONG BIO provides custom synthesis services for Valclavam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.