3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine
TL;DR: 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine (CAS 74758-63-7) is a chemical compound with molecular formula C8H12N2O4 and molecular weight 200.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid
Also Known As: Alanylclavam, Clavalanine, 2-Alanylclavam, Antibiotic Ro-22-5417, Ro-22-5417
| Molecular Formula | C8H12N2O4 |
|---|---|
| Molecular Weight | 200.08 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.07971 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 74758-63-7 |
|---|---|
| SMILES | C1[C@H]2N(C1=O)C[C@@H](O2)C[C@@H](C(=O)O)N |
| InChIKey | KCAIYJDHLVYANU-VPLCAKHXSA-N |
Product Overview
3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine (CAS 74758-63-7), with molecular formula C8H12N2O4 and molecular weight 200.08 g/mol. IUPAC: (2S)-2-amino-3-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid.
Chemical Property Profile of 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine
Property Insights of 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine
The XLogP value of -3.9 indicates that 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine. Following Lipinski's Rule of Five, 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine has 2 hydrogen bond donor(s) and 5 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 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine?
The CAS number of 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine is 74758-63-7.
What is the molecular formula of 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine?
The molecular formula of 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine is C8H12N2O4.
What is the molecular weight of 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine?
The molecular weight of 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine is 200.08 g/mol.
Where can I buy 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine?
You can request a quote for 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.