Cefcanel Daloxate
TL;DR: Cefcanel Daloxate (CAS 97275-40-6) is a chemical compound with molecular formula C27H27N5O9S3 and molecular weight 661.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2R)-2-[(2S)-2-aminopropanoyl]oxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Cefcanel daloxate, Cefcanel daloxato, Cefcanelum daloxatum, Cefcanel daloxate [INN], Cefcanel daloxato [INN-Spanish]
| Molecular Formula | C27H27N5O9S3 |
|---|---|
| Molecular Weight | 661.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 661.0971 |
| Heavy Atoms | 44 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 97275-40-6 |
|---|---|
| SMILES | CC1=C(OC(=O)O1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)[C@@H](C4=CC=CC=C4)OC(=O)[C@H](C)N)CSC5=NN=C(S5)C |
| InChIKey | AMMYEZPDRKXESR-XHSUIHOPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cefcanel Daloxate (CAS 97275-40-6), with molecular formula C27H27N5O9S3 and molecular weight 661.10 g/mol. IUPAC: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2R)-2-[(2S)-2-aminopropanoyl]oxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of Cefcanel Daloxate
Property Insights of Cefcanel Daloxate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cefcanel Daloxate. The TPSA of 268.0 Ų indicates high polarity, suggesting Cefcanel Daloxate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cefcanel Daloxate has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cefcanel Daloxate?
The CAS number of Cefcanel Daloxate is 97275-40-6.
What is the molecular formula of Cefcanel Daloxate?
The molecular formula of Cefcanel Daloxate is C27H27N5O9S3.
What is the molecular weight of Cefcanel Daloxate?
The molecular weight of Cefcanel Daloxate is 661.10 g/mol.
Where can I buy Cefcanel Daloxate?
You can request a quote for Cefcanel Daloxate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cefcanel Daloxate?
Yes, KEHONG BIO provides custom synthesis services for Cefcanel Daloxate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.