Ceftriaxone disodium hemiheptahydrate
TL;DR: Ceftriaxone disodium hemiheptahydrate (CAS 97164-54-0) is a chemical compound with molecular formula C18H16N8Na2O7S3 and molecular weight 598.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: ceftriaxone, -ide, Disodium ceftriaxone, Ceftriaxone (sodium salt), CEFTRIAXONE SODIUM
| Molecular Formula | C18H16N8Na2O7S3 |
|---|---|
| Molecular Weight | 598.01 g/mol |
| LogP | -9.1577 |
| Topological Polar Surface Area | 220.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 598.00995 |
| Heavy Atoms | 38 |
| Complexity | 1381.9404 |
Chemical Identifiers
| CAS Number | 97164-54-0 |
|---|---|
| SMILES | CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+].[Na+] |
Product Overview
Ceftriaxone disodium hemiheptahydrate (CAS 97164-54-0), with molecular formula C18H16N8Na2O7S3 and molecular weight 598.01 g/mol. IUPAC: disodium;(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of Ceftriaxone disodium hemiheptahydrate
Property Insights of Ceftriaxone disodium hemiheptahydrate
The XLogP value of -9.1577 indicates that Ceftriaxone disodium hemiheptahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.88 Ų indicates high polarity, suggesting Ceftriaxone disodium hemiheptahydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ceftriaxone disodium hemiheptahydrate 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 Ceftriaxone disodium hemiheptahydrate?
The CAS number of Ceftriaxone disodium hemiheptahydrate is 97164-54-0.
What is the molecular formula of Ceftriaxone disodium hemiheptahydrate?
The molecular formula of Ceftriaxone disodium hemiheptahydrate is C18H16N8Na2O7S3.
What is the molecular weight of Ceftriaxone disodium hemiheptahydrate?
The molecular weight of Ceftriaxone disodium hemiheptahydrate is 598.01 g/mol.
Where can I buy Ceftriaxone disodium hemiheptahydrate?
You can request a quote for Ceftriaxone disodium hemiheptahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ceftriaxone disodium hemiheptahydrate?
Yes, KEHONG BIO provides custom synthesis services for Ceftriaxone disodium hemiheptahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.