CID 102441
TL;DR: CID 102441 (CAS 4493-18-9) is a chemical compound with molecular formula C14H22N2O4S and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(hexanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: flavicin, Amylpenicillin, Penicillin DF, 6-(hexanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C14H22N2O4S |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.13004 |
| Heavy Atoms | 21 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 4493-18-9 |
|---|---|
| SMILES | CCCCCC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O |
| InChIKey | ACAZKHULUUVWCY-UHFFFAOYSA-N |
Product Overview
CID 102441 (CAS 4493-18-9), with molecular formula C14H22N2O4S and molecular weight 314.13 g/mol. IUPAC: 6-(hexanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of CID 102441
Property Insights of CID 102441
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 102441. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 102441. Following Lipinski's Rule of Five, CID 102441 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 CID 102441?
The CAS number of CID 102441 is 4493-18-9.
What is the molecular formula of CID 102441?
The molecular formula of CID 102441 is C14H22N2O4S.
What is the molecular weight of CID 102441?
The molecular weight of CID 102441 is 314.13 g/mol.
Where can I buy CID 102441?
You can request a quote for CID 102441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 102441?
Yes, KEHONG BIO provides custom synthesis services for CID 102441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.