![(7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid structure](/static/products/342/342420-01-3.png)
(7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid
TL;DR: (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid (CAS 342420-01-3) is a chemical compound with molecular formula C28H31Cl2N4O6S3+ and molecular weight 685.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-[[1-(3-aminopropyl)-2-(3-carboxypropyl)pyridin-1-ium-4-yl]sulfanylmethyl]-7-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid, 1-(3-Aminopropyl)-4-[[[(6R,7R)-2-carboxy-7-[[2-[(2,5-dichlorophenyl)thio]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-2-(3-carboxypropyl)pyridinium
| Molecular Formula | C28H31Cl2N4O6S3+ |
|---|---|
| Molecular Weight | 685.08 g/mol |
| LogP | 3.66 |
| Topological Polar Surface Area | 153.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 685.0783 |
| Heavy Atoms | 43 |
| Complexity | 1443.2023 |
Chemical Identifiers
| CAS Number | 342420-01-3 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=C(C=CC(=C3)Cl)Cl)C(=O)O)CSC4=CC(=[N+](C=C4)CCCN)CCCC(=O)O |
Product Overview
(7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid (CAS 342420-01-3), with molecular formula C28H31Cl2N4O6S3+ and molecular weight 685.08 g/mol. IUPAC: (6R,7R)-3-[[1-(3-aminopropyl)-2-(3-carboxypropyl)pyridin-1-ium-4-yl]sulfanylmethyl]-7-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid
Property Insights of (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid
The XLogP value of 3.66 indicates that (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.91 Ų indicates high polarity, suggesting (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid?
The CAS number of (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid is 342420-01-3.
What is the molecular formula of (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid?
The molecular formula of (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid is C28H31Cl2N4O6S3+.
What is the molecular weight of (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid?
The molecular weight of (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid is 685.08 g/mol.
Where can I buy (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid?
You can request a quote for (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (7R)-3-[1-(3-Aminopropyl)-2-(4-oxo-4-hydroxybutyl)pyridinium-4-ylthiomethyl]-7beta-[(2,5-dichlorophenylthio)acetylamino]cepham-3-ene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.