苯唑西林
TL;DR: 苯唑西林 (CAS 66-79-5) is a chemical compound with molecular formula C19H19N3O5S and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯唑西林
3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: oxacillin, MPI-penicillin; MPi-PC, BAS 01172378, Silicic acid (H4SiO4), tetraphenyl ester, 3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C19H19N3O5S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.10455 |
| Heavy Atoms | 28 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 66-79-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O |
| InChIKey | UWYHMGVUTGAWSP-UHFFFAOYSA-N |
Product Overview
苯唑西林 (CAS 66-79-5), with molecular formula C19H19N3O5S and molecular weight 401.10 g/mol. IUPAC: 3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 苯唑西林
Property Insights of 苯唑西林
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯唑西林. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯唑西林. Following Lipinski's Rule of Five, 苯唑西林 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
Frequently Asked Questions
What is the CAS number of 苯唑西林?
The CAS number of 苯唑西林 is 66-79-5.
What is the molecular formula of 苯唑西林?
The molecular formula of 苯唑西林 is C19H19N3O5S.
What is the molecular weight of 苯唑西林?
The molecular weight of 苯唑西林 is 401.10 g/mol.
Where can I buy 苯唑西林?
You can request a quote for 苯唑西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯唑西林?
Yes, KEHONG BIO provides custom synthesis services for 苯唑西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.