Carfecillin
TL;DR: Carfecillin (CAS 27025-49-6) is a chemical compound with molecular formula C23H22N2O6S and molecular weight 454.11984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Carfecillin, Carbenicillin phenyl, Carbenicillin phenyl sodium, 3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, Malonamic acid, N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenyl-, 1-phenyl ester
Technical Specifications
| Molecular Formula | C23H22N2O6S |
| Molecular Weight | 454.11984 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.11984 Da |
| Heavy Atoms | 32 |
| Complexity | 774.0 |
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OC4=CC=CC=C4)C(=O)O)C |
| InChIKey | NZDASSHFKWDBBU-UHFFFAOYSA-N |
Chemical Property Profile of Carfecillin
Property Insights of Carfecillin
The XLogP value of 3.0 indicates that Carfecillin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carfecillin. Following Lipinski's Rule of Five, Carfecillin has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carfecillin?
The CAS number of Carfecillin is 27025-49-6.
What is the molecular formula of Carfecillin?
The molecular formula of Carfecillin is C23H22N2O6S.
What is the molecular weight of Carfecillin?
The molecular weight of Carfecillin is 454.11984 g/mol.
Where can I buy Carfecillin?
You can request a quote for Carfecillin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carfecillin?
Yes, CoreyChem provides custom synthesis services for Carfecillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.