头孢特仑匹酯
TL;DR: 头孢特仑匹酯 (CAS 82547-81-7) is a chemical compound with molecular formula C22H27N9O7S2 and molecular weight 593.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢特仑匹酯
2,2-dimethylpropanoyloxymethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: cefteram pivoxil, Tomiron, Ro 19-5248; T 2588; Tomiron; Tomiron 100, 2,2-dimethylpropanoyloxymethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Ro 19-5248;Ro-19-5248;T 2588;T-2588
| Molecular Formula | C22H27N9O7S2 |
|---|---|
| Molecular Weight | 593.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 593.14746 |
| Heavy Atoms | 40 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 82547-81-7 |
|---|---|
| SMILES | CC1=NN(N=N1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C |
| InChIKey | UIYAXIPXULMHAI-UHFFFAOYSA-N |
Product Overview
头孢特仑匹酯 (CAS 82547-81-7), with molecular formula C22H27N9O7S2 and molecular weight 593.15 g/mol. IUPAC: 2,2-dimethylpropanoyloxymethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of 头孢特仑匹酯
Property Insights of 头孢特仑匹酯
The XLogP value of 3.1 indicates that 头孢特仑匹酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 260.0 Ų indicates high polarity, suggesting 头孢特仑匹酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢特仑匹酯 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 头孢特仑匹酯?
The CAS number of 头孢特仑匹酯 is 82547-81-7.
What is the molecular formula of 头孢特仑匹酯?
The molecular formula of 头孢特仑匹酯 is C22H27N9O7S2.
What is the molecular weight of 头孢特仑匹酯?
The molecular weight of 头孢特仑匹酯 is 593.15 g/mol.
Where can I buy 头孢特仑匹酯?
You can request a quote for 头孢特仑匹酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢特仑匹酯?
Yes, KEHONG BIO provides custom synthesis services for 头孢特仑匹酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.