RefChem:1095695
TL;DR: RefChem:1095695 (CAS 67729-52-6) is a chemical compound with molecular formula C27H31ClN2O8S and molecular weight 578.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-[1-(5-chloro-2-phenylsulfanylphenyl)ethyl]-4-methylpiperazine
Also Known As: 1-(1-(5-Chloro-2-(phenylthio)phenyl)ethyl)-4-methylpiperazine (Z)-2-butenedioate (1:2), Piperazine, 1-(1-(5-chloro-2-(phenylthio)phenyl)ethyl)-4-methyl-, (Z)-2-butenedioate (1:2), 4-Chloro-2-(1-(4-methylpiperazino)ethyl)diphenyl sulfide bis(hydrogen maleate), (E)-but-2-enedioic acid; 1-[1-(5-chloro-2-phenylsulfanylphenyl)ethyl]-4-methylpiperazine, RefChem:1095695
| Molecular Formula | C27H31ClN2O8S |
|---|---|
| Molecular Weight | 578.15 g/mol |
| LogP | 4.2232 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 578.149 |
| Heavy Atoms | 39 |
| Complexity | 1099.632 |
Chemical Identifiers
| CAS Number | 67729-52-6 |
|---|---|
| SMILES | CC(N1CCN(CC1)C)C2=C(C=CC(=C2)Cl)SC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095695 (CAS 67729-52-6), with molecular formula C27H31ClN2O8S and molecular weight 578.15 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-[1-(5-chloro-2-phenylsulfanylphenyl)ethyl]-4-methylpiperazine.
Chemical Property Profile of RefChem:1095695
Property Insights of RefChem:1095695
The XLogP value of 4.2232 indicates that RefChem:1095695 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1095695 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095695 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095695?
The CAS number of RefChem:1095695 is 67729-52-6.
What is the molecular formula of RefChem:1095695?
The molecular formula of RefChem:1095695 is C27H31ClN2O8S.
What is the molecular weight of RefChem:1095695?
The molecular weight of RefChem:1095695 is 578.15 g/mol.
Where can I buy RefChem:1095695?
You can request a quote for RefChem:1095695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095695?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.