Cefathiamidine
TL;DR: Cefathiamidine (CAS 37934-61-5) is a chemical compound with molecular formula C19H28N4O6S2 and molecular weight 472.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(acetyloxymethyl)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefathiamidine, I14-15177, (6R,7R)-3-(acetyloxymethyl)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetoxymethyl)-7-({[(n,n'-diisopropylcarbamimidoyl)sulfanyl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(alpha-((N,N'-Diisopropylamidino)thio)acetylamino)cephalosporanic acid
| Molecular Formula | C19H28N4O6S2 |
|---|---|
| Molecular Weight | 472.15 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 472.14502 |
| Heavy Atoms | 31 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 37934-61-5 |
|---|---|
| SMILES | CC(C)NC(=NC(C)C)SCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O |
| InChIKey | JYXACOFERDBGGQ-UHFFFAOYSA-N |
Product Overview
Cefathiamidine (CAS 37934-61-5), with molecular formula C19H28N4O6S2 and molecular weight 472.15 g/mol. IUPAC: 3-(acetyloxymethyl)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Cefathiamidine
Property Insights of Cefathiamidine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cefathiamidine. The TPSA of 188.0 Ų indicates high polarity, suggesting Cefathiamidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cefathiamidine has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cefathiamidine?
The CAS number of Cefathiamidine is 37934-61-5.
What is the molecular formula of Cefathiamidine?
The molecular formula of Cefathiamidine is C19H28N4O6S2.
What is the molecular weight of Cefathiamidine?
The molecular weight of Cefathiamidine is 472.15 g/mol.
Where can I buy Cefathiamidine?
You can request a quote for Cefathiamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cefathiamidine?
Yes, KEHONG BIO provides custom synthesis services for Cefathiamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.