頭孢噻肟
TL;DR: 頭孢噻肟 (CAS 63527-52-6) is a chemical compound with molecular formula C16H17N5O7S2 and molecular weight 455.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
頭孢噻肟
3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: cefotaxime, Claforan, Cefotaxima, Cefotaximum, Cephotaxime
| Molecular Formula | C16H17N5O7S2 |
|---|---|
| Molecular Weight | 455.06 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 227.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.05695 |
| Heavy Atoms | 30 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 63527-52-6 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O |
| InChIKey | GPRBEKHLDVQUJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
頭孢噻肟 (CAS 63527-52-6), with molecular formula C16H17N5O7S2 and molecular weight 455.06 g/mol. IUPAC: 3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 頭孢噻肟
Property Insights of 頭孢噻肟
The XLogP value of -1.4 indicates that 頭孢噻肟 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 227.0 Ų indicates high polarity, suggesting 頭孢噻肟 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 頭孢噻肟 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 頭孢噻肟?
The CAS number of 頭孢噻肟 is 63527-52-6.
What is the molecular formula of 頭孢噻肟?
The molecular formula of 頭孢噻肟 is C16H17N5O7S2.
What is the molecular weight of 頭孢噻肟?
The molecular weight of 頭孢噻肟 is 455.06 g/mol.
Where can I buy 頭孢噻肟?
You can request a quote for 頭孢噻肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 頭孢噻肟?
Yes, KEHONG BIO provides custom synthesis services for 頭孢噻肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.