RefChem:1078529
TL;DR: RefChem:1078529 (CAS 85689-97-0) is a chemical compound with molecular formula C25H31NO5 and molecular weight 425.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;(4-cyclopentylphenyl)-[methyl(1-phenylethyl)amino]methanol
Also Known As: 4-Cyclopentyl-alpha-((methyl(phenylmethyl)amino)methyl)benzenemethanol hydrogen maleate, Benzenemethanol, 4-cyclopentyl-alpha-((methyl(phenylmethyl)amino)methyl)-, (Z)-2-butenedioate (1:1), (Z)-but-2-enedioic acid;(4-cyclopentylphenyl)-[methyl(1-phenylethyl)amino]methanol, (Z)-but-2-enedioic acid; (4-cyclopentylphenyl)-[methyl(1-phenylethyl)amino]methanol, RefChem:1078529
| Molecular Formula | C25H31NO5 |
|---|---|
| Molecular Weight | 425.22 g/mol |
| LogP | 4.7399 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.2202 |
| Heavy Atoms | 31 |
| Complexity | 841.2409 |
Chemical Identifiers
| CAS Number | 85689-97-0 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N(C)C(C2=CC=C(C=C2)C3CCCC3)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1078529 (CAS 85689-97-0), with molecular formula C25H31NO5 and molecular weight 425.22 g/mol. IUPAC: (Z)-but-2-enedioic acid;(4-cyclopentylphenyl)-[methyl(1-phenylethyl)amino]methanol.
Chemical Property Profile of RefChem:1078529
Property Insights of RefChem:1078529
The XLogP value of 4.7399 indicates that RefChem:1078529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078529. Following Lipinski's Rule of Five, RefChem:1078529 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1078529?
The CAS number of RefChem:1078529 is 85689-97-0.
What is the molecular formula of RefChem:1078529?
The molecular formula of RefChem:1078529 is C25H31NO5.
What is the molecular weight of RefChem:1078529?
The molecular weight of RefChem:1078529 is 425.22 g/mol.
Where can I buy RefChem:1078529?
You can request a quote for RefChem:1078529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078529?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.