Cephalosporin 112883
TL;DR: Cephalosporin 112883 (CAS 58801-40-4) is a chemical compound with molecular formula C20H22N10O5S2 and molecular weight 546.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Guanylureidocephalosporin, Cephalosporin 112883, (6R,7R)-7-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((((aminoiminomethyl)amino)carbonyl)amino)phenylacetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta))-, (6R,7R)-7-[(2-{[(Carbamimidoylamino)(hydroxy)methylidene]amino}-1-hydroxy-2-phenylethylidene)amino]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C20H22N10O5S2 |
|---|---|
| Molecular Weight | 546.12 g/mol |
| LogP | -1.2349 |
| Topological Polar Surface Area | 223.81 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.1216 |
| Heavy Atoms | 37 |
| Complexity | 1293.4438 |
Chemical Identifiers
| CAS Number | 58801-40-4 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(C4=CC=CC=C4)NC(=O)N=C(N)N)SC2)C(=O)O |
Product Overview
Cephalosporin 112883 (CAS 58801-40-4), with molecular formula C20H22N10O5S2 and molecular weight 546.12 g/mol. IUPAC: (6R,7R)-7-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Cephalosporin 112883
Property Insights of Cephalosporin 112883
The XLogP value of -1.2349 indicates that Cephalosporin 112883 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.81 Ų indicates high polarity, suggesting Cephalosporin 112883 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephalosporin 112883 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cephalosporin 112883?
The CAS number of Cephalosporin 112883 is 58801-40-4.
What is the molecular formula of Cephalosporin 112883?
The molecular formula of Cephalosporin 112883 is C20H22N10O5S2.
What is the molecular weight of Cephalosporin 112883?
The molecular weight of Cephalosporin 112883 is 546.12 g/mol.
Where can I buy Cephalosporin 112883?
You can request a quote for Cephalosporin 112883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephalosporin 112883?
Yes, KEHONG BIO provides custom synthesis services for Cephalosporin 112883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.