Rocephin
TL;DR: Rocephin (CAS 92143-31-2) is a chemical compound with molecular formula C18H18N8O7S3 and molecular weight 554.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Rocephin, (E)-Ceftriaxone, CEFTRIAXONE SODIUM, (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C18H18N8O7S3 |
|---|---|
| Molecular Weight | 554.05 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 554.0461 |
| Heavy Atoms | 36 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 92143-31-2 |
|---|---|
| SMILES | CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O |
| InChIKey | VAAUVRVFOQPIGI-RFAUZJTJSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rocephin (CAS 92143-31-2), with molecular formula C18H18N8O7S3 and molecular weight 554.05 g/mol. IUPAC: (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Rocephin
Property Insights of Rocephin
The XLogP value of -1.3 indicates that Rocephin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 288.0 Ų indicates high polarity, suggesting Rocephin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rocephin has 4 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 Rocephin?
The CAS number of Rocephin is 92143-31-2.
What is the molecular formula of Rocephin?
The molecular formula of Rocephin is C18H18N8O7S3.
What is the molecular weight of Rocephin?
The molecular weight of Rocephin is 554.05 g/mol.
Where can I buy Rocephin?
You can request a quote for Rocephin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rocephin?
Yes, KEHONG BIO provides custom synthesis services for Rocephin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.