6-Acetylmethylenepenicillanic acid
TL;DR: 6-Acetylmethylenepenicillanic acid (CAS 83151-26-2) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6E)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 6-Acetylmethylenepenicillanic acid, Ro-15-1903, Ro 15-1903, (2S,5R,6E)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 0.6487 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 454.3878 |
Chemical Identifiers
| CAS Number | 83151-26-2 |
|---|---|
| SMILES | CC(=O)/C=C\1/[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O |
Product Overview
6-Acetylmethylenepenicillanic acid (CAS 83151-26-2), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: (2S,5R,6E)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 6-Acetylmethylenepenicillanic acid
Property Insights of 6-Acetylmethylenepenicillanic acid
The XLogP value of 0.6487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Acetylmethylenepenicillanic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Acetylmethylenepenicillanic acid. Following Lipinski's Rule of Five, 6-Acetylmethylenepenicillanic acid has 1 hydrogen bond donor(s) and 4 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 6-Acetylmethylenepenicillanic acid?
The CAS number of 6-Acetylmethylenepenicillanic acid is 83151-26-2.
What is the molecular formula of 6-Acetylmethylenepenicillanic acid?
The molecular formula of 6-Acetylmethylenepenicillanic acid is C11H13NO4S.
What is the molecular weight of 6-Acetylmethylenepenicillanic acid?
The molecular weight of 6-Acetylmethylenepenicillanic acid is 255.06 g/mol.
Where can I buy 6-Acetylmethylenepenicillanic acid?
You can request a quote for 6-Acetylmethylenepenicillanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Acetylmethylenepenicillanic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetylmethylenepenicillanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.