RefChem:1095870
TL;DR: RefChem:1095870 (CAS 57083-90-6) is a chemical compound with molecular formula C24H26ClN3O8 and molecular weight 519.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-5-chloro-2-methoxyphenyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone;(E)-but-2-enedioic acid
Also Known As: 1-(2-Methoxy-4-amino-5-chloro-benzamido)-4-piperonyl-piperazine maleate, Piperazine, 1-(4-amino-5-chloro-2-methoxybenzoyl)-4-(1,3-benzodioxol-5-ylmethyl)-, (Z)-2-butenedioate, 1-(4-Amino-5-chloro-2-methoxybenzoyl)-4-(1,3-benzodioxol-5-ylmethyl)-piperazine maleate, (4-amino-5-chloro-2-methoxyphenyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone; (E)-but-2-enedioic acid, RefChem:1095870
| Molecular Formula | C24H26ClN3O8 |
|---|---|
| Molecular Weight | 519.14 g/mol |
| LogP | 2.3293 |
| Topological Polar Surface Area | 151.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.14087 |
| Heavy Atoms | 36 |
| Complexity | 1146.2909 |
Chemical Identifiers
| CAS Number | 57083-90-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095870 (CAS 57083-90-6), with molecular formula C24H26ClN3O8 and molecular weight 519.14 g/mol. IUPAC: (4-amino-5-chloro-2-methoxyphenyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1095870
Property Insights of RefChem:1095870
The XLogP value of 2.3293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095870. The TPSA of 151.86 Ų indicates high polarity, suggesting RefChem:1095870 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095870 has 3 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 RefChem:1095870?
The CAS number of RefChem:1095870 is 57083-90-6.
What is the molecular formula of RefChem:1095870?
The molecular formula of RefChem:1095870 is C24H26ClN3O8.
What is the molecular weight of RefChem:1095870?
The molecular weight of RefChem:1095870 is 519.14 g/mol.
Where can I buy RefChem:1095870?
You can request a quote for RefChem:1095870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095870?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.