Peritoxin A
TL;DR: Peritoxin A (CAS 145585-98-4) is a chemical compound with molecular formula C20H29Cl3N4O9 and molecular weight 574.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
Also Known As: Peritoxin A, J1.656.384F, 4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid, 3-[(6-AMINO-4-HYDROXY-2-OXOAZEPAN-3-YL)CARBAMOYL]-3-({3-[CARBOXY(CHLORO)METHYL]-2-CHLORO-2-(1-CHLORO-3-HYDROXYBUTYL)CYCLOPROPYL}FORMAMIDO)PROPANOIC ACID, 3-[[2-[(6-Amino-4-hydroxy-2-oxohexahydro-1H-azepine-3-yl)amino]-1-(carboxymethyl)-2-oxoethyl]carbamoyl]-alpha,2-dichloro-2-(1-chloro-3-hydroxybutyl)cyclopropaneacetic acid
| Molecular Formula | C20H29Cl3N4O9 |
|---|---|
| Molecular Weight | 574.10 g/mol |
| LogP | -4.4 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 574.10004 |
| Heavy Atoms | 36 |
| Complexity | 896.0 |
Chemical Identifiers
| CAS Number | 145585-98-4 |
|---|---|
| SMILES | CC(CC(C1(C(C1C(=O)NC(CC(=O)O)C(=O)NC2C(CC(CNC2=O)N)O)C(C(=O)O)Cl)Cl)Cl)O |
| InChIKey | BCPPKCDYZCXCGK-UHFFFAOYSA-N |
Product Overview
Peritoxin A (CAS 145585-98-4), with molecular formula C20H29Cl3N4O9 and molecular weight 574.10 g/mol. IUPAC: 4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Peritoxin A
Property Insights of Peritoxin A
The XLogP value of -4.4 indicates that Peritoxin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 228.0 Ų indicates high polarity, suggesting Peritoxin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Peritoxin A has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Peritoxin A?
The CAS number of Peritoxin A is 145585-98-4.
What is the molecular formula of Peritoxin A?
The molecular formula of Peritoxin A is C20H29Cl3N4O9.
What is the molecular weight of Peritoxin A?
The molecular weight of Peritoxin A is 574.10 g/mol.
Where can I buy Peritoxin A?
You can request a quote for Peritoxin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peritoxin A?
Yes, KEHONG BIO provides custom synthesis services for Peritoxin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.