Peritoxin B
TL;DR: Peritoxin B (CAS 145585-99-5) is a chemical compound with molecular formula C20H29Cl3N4O8 and molecular weight 558.11 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-chlorobutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
Also Known As: Peritoxin B, J1.656.385D, 4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chlorobutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid, Cyclopropaneacetic acid, 3-(((2-((6-aminohexahydro-4-hydroxy-2-oxo-1H-azepin-3-yl)amino)-1-(carboxymethyl)-2-oxoethyl)amino)carbonyl)-alpha,2-dichloro-2-(1-chloro-3-hydroxybutyl)-, 3-[(6-AMINO-4-HYDROXY-2-OXOAZEPAN-3-YL)CARBAMOYL]-3-({3-[CARBOXY(CHLORO)METHYL]-2-CHLORO-2-(1-CHLOROBUTYL)CYCLOPROPYL}FORMAMIDO)PROPANOIC ACID
| Molecular Formula | C20H29Cl3N4O8 |
|---|---|
| Molecular Weight | 558.11 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 558.1051 |
| Heavy Atoms | 35 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 145585-99-5 |
|---|---|
| SMILES | CCCC(C1(C(C1C(=O)NC(CC(=O)O)C(=O)NC2C(CC(CNC2=O)N)O)C(C(=O)O)Cl)Cl)Cl |
| InChIKey | RSMNHRRWERNDLZ-UHFFFAOYSA-N |
Product Overview
Peritoxin B (CAS 145585-99-5), with molecular formula C20H29Cl3N4O8 and molecular weight 558.11 g/mol. IUPAC: 4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chlorobutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Peritoxin B
Property Insights of Peritoxin B
The XLogP value of -3.2 indicates that Peritoxin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting Peritoxin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Peritoxin B has 7 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 Peritoxin B?
The CAS number of Peritoxin B is 145585-99-5.
What is the molecular formula of Peritoxin B?
The molecular formula of Peritoxin B is C20H29Cl3N4O8.
What is the molecular weight of Peritoxin B?
The molecular weight of Peritoxin B is 558.11 g/mol.
Where can I buy Peritoxin B?
You can request a quote for Peritoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peritoxin B?
Yes, KEHONG BIO provides custom synthesis services for Peritoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.