氟氧头孢
TL;DR: 氟氧头孢 (CAS 99665-00-6) is a chemical compound with molecular formula C15H18F2N6O7S2 and molecular weight 496.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟氧头孢
7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Flomoxef, flomoxef sodium, Flomoxef [INN], Flomoxef Sodium - Bio-X trade mark, 7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C15H18F2N6O7S2 |
|---|---|
| Molecular Weight | 496.06 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 496.06464 |
| Heavy Atoms | 32 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 99665-00-6 |
|---|---|
| SMILES | COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)F |
| InChIKey | UHRBTBZOWWGKMK-UHFFFAOYSA-N |
Product Overview
氟氧头孢 (CAS 99665-00-6), with molecular formula C15H18F2N6O7S2 and molecular weight 496.06 g/mol. IUPAC: 7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 氟氧头孢
Property Insights of 氟氧头孢
The XLogP value of -1.3 indicates that 氟氧头孢 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting 氟氧头孢 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 氟氧头孢 has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氟氧头孢?
The CAS number of 氟氧头孢 is 99665-00-6.
What is the molecular formula of 氟氧头孢?
The molecular formula of 氟氧头孢 is C15H18F2N6O7S2.
What is the molecular weight of 氟氧头孢?
The molecular weight of 氟氧头孢 is 496.06 g/mol.
Where can I buy 氟氧头孢?
You can request a quote for 氟氧头孢 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟氧头孢?
Yes, KEHONG BIO provides custom synthesis services for 氟氧头孢 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.