頭孢他啶
TL;DR: 頭孢他啶 (CAS 72558-82-8) is a chemical compound with molecular formula C22H22N6O7S2 and molecular weight 546.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
頭孢他啶
7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: ceftazidime, biotum, ceftazidima, ceftazidimum, Pentacef
| Molecular Formula | C22H22N6O7S2 |
|---|---|
| Molecular Weight | 546.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.0991 |
| Heavy Atoms | 37 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 72558-82-8 |
|---|---|
| SMILES | CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-] |
| InChIKey | ORFOPKXBNMVMKC-UHFFFAOYSA-N |
Product Overview
頭孢他啶 (CAS 72558-82-8), with molecular formula C22H22N6O7S2 and molecular weight 546.10 g/mol. IUPAC: 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of 頭孢他啶
Property Insights of 頭孢他啶
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 頭孢他啶. The TPSA of 245.0 Ų indicates high polarity, suggesting 頭孢他啶 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 頭孢他啶 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 頭孢他啶?
The CAS number of 頭孢他啶 is 72558-82-8.
What is the molecular formula of 頭孢他啶?
The molecular formula of 頭孢他啶 is C22H22N6O7S2.
What is the molecular weight of 頭孢他啶?
The molecular weight of 頭孢他啶 is 546.10 g/mol.
Where can I buy 頭孢他啶?
You can request a quote for 頭孢他啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 頭孢他啶?
Yes, KEHONG BIO provides custom synthesis services for 頭孢他啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.