萘夫西林
TL;DR: 萘夫西林 (CAS 147-52-4) is a chemical compound with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
萘夫西林
(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: nafcillin, Naphcillin, Nafcilline, Nafcilina, Nallpen
| Molecular Formula | C21H22N2O5S |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.12494 |
| Heavy Atoms | 29 |
| Complexity | 699.0 |
| Solubility | Soluble |
Chemical Identifiers
| CAS Number | 147-52-4 |
|---|---|
| SMILES | CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O |
| InChIKey | GPXLMGHLHQJAGZ-JTDSTZFVSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
萘夫西林 (CAS 147-52-4), with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol. IUPAC: (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 萘夫西林
Property Insights of 萘夫西林
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 萘夫西林. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 萘夫西林. Following Lipinski's Rule of Five, 萘夫西林 has 2 hydrogen bond donor(s) and 6 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 萘夫西林?
The CAS number of 萘夫西林 is 147-52-4.
What is the molecular formula of 萘夫西林?
The molecular formula of 萘夫西林 is C21H22N2O5S.
What is the molecular weight of 萘夫西林?
The molecular weight of 萘夫西林 is 414.12 g/mol.
Where can I buy 萘夫西林?
You can request a quote for 萘夫西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 萘夫西林?
Yes, KEHONG BIO provides custom synthesis services for 萘夫西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.