![3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸 structure](/static/products/5800/58001-44-8.webp)
3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸
TL;DR: 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸 (CAS 58001-44-8) is a chemical compound with molecular formula C8H9NO5 and molecular weight 199.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸
3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: CLAVULANIC ACID, Isoclavulanic acid, 3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylate
| Molecular Formula | C8H9NO5 |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.04807 |
| Heavy Atoms | 14 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 58001-44-8 |
|---|---|
| SMILES | C1C2N(C1=O)C(C(=CCO)O2)C(=O)O |
| InChIKey | HZZVJAQRINQKSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸 (CAS 58001-44-8), with molecular formula C8H9NO5 and molecular weight 199.05 g/mol. IUPAC: 3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸
Property Insights of 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸
The XLogP value of -1.2 indicates that 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸. Following Lipinski's Rule of Five, 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸 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-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸?
The CAS number of 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸 is 58001-44-8.
What is the molecular formula of 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸?
The molecular formula of 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸 is C8H9NO5.
What is the molecular weight of 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸?
The molecular weight of 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸 is 199.05 g/mol.
Where can I buy 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸?
You can request a quote for 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-羟基亚乙基)-7-氧代-4-氧杂-1-氮杂双环[3.2.0]庚烷-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.