头孢特仑
TL;DR: 头孢特仑 (CAS 82547-58-8) is a chemical compound with molecular formula C16H17N9O5S2 and molecular weight 479.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢特仑
(6R,7R)-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-carboxylic acid
Also Known As: Cefteram, (6R,7R)-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-carboxylic acid, 7-(2-(2-amino-4-thiazoyl)-2-(methoxyimino)acetamido)-3-((5-methyl-2H-tetrazol-2-yl)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene carboxylic acid
| Molecular Formula | C16H17N9O5S2 |
|---|---|
| Molecular Weight | 479.08 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.0794 |
| Heavy Atoms | 32 |
| Complexity | 871.0 |
Chemical Identifiers
| CAS Number | 82547-58-8 |
|---|---|
| SMILES | CC1=NN(N=N1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O |
| InChIKey | XSPUSVIQHBDITA-QMTHXVAHSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
头孢特仑 (CAS 82547-58-8), with molecular formula C16H17N9O5S2 and molecular weight 479.08 g/mol. IUPAC: (6R,7R)-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-carboxylic acid.
Chemical Property Profile of 头孢特仑
Property Insights of 头孢特仑
The XLogP value of -0.9 indicates that 头孢特仑 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 244.0 Ų indicates high polarity, suggesting 头孢特仑 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢特仑 has 3 hydrogen bond donor(s) and 13 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?
The CAS number of 头孢特仑 is 82547-58-8.
What is the molecular formula of 头孢特仑?
The molecular formula of 头孢特仑 is C16H17N9O5S2.
What is the molecular weight of 头孢特仑?
The molecular weight of 头孢特仑 is 479.08 g/mol.
Where can I buy 头孢特仑?
You can request a quote for 头孢特仑 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?
Yes, KEHONG BIO provides custom synthesis services for 头孢特仑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.