Penicillin K
TL;DR: Penicillin K (CAS 525-97-3) is a chemical compound with molecular formula C16H26N2O4S and molecular weight 342.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-6-(octanoylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Penicillin K, Heptylpenicillin, Penicillin A, Penicillin IV, Octanoylpenicillin
| Molecular Formula | C16H26N2O4S |
|---|---|
| Molecular Weight | 342.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.16132 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 525-97-3 |
|---|---|
| SMILES | CCCCCCCC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O |
| InChIKey | XVASOOUVMJAZNJ-UHFFFAOYSA-N |
Product Overview
Penicillin K (CAS 525-97-3), with molecular formula C16H26N2O4S and molecular weight 342.16 g/mol. IUPAC: 3,3-dimethyl-6-(octanoylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Penicillin K
Property Insights of Penicillin K
The XLogP value of 3.5 indicates that Penicillin K is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Penicillin K. Following Lipinski's Rule of Five, Penicillin K 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 Penicillin K?
The CAS number of Penicillin K is 525-97-3.
What is the molecular formula of Penicillin K?
The molecular formula of Penicillin K is C16H26N2O4S.
What is the molecular weight of Penicillin K?
The molecular weight of Penicillin K is 342.16 g/mol.
Where can I buy Penicillin K?
You can request a quote for Penicillin K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penicillin K?
Yes, KEHONG BIO provides custom synthesis services for Penicillin K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.