RefChem:1078527
TL;DR: RefChem:1078527 (CAS 85689-83-4) is a chemical compound with molecular formula C20H29NO5 and molecular weight 363.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;N-[(4-cyclopentylphenyl)methoxymethyl]propan-2-amine
Also Known As: 1,3-Propanediol,2-decyl, 1-(4-Cyclopentylphenyl)-2-(isopropylamino)ethanol hydrogen maleate, Benzenemethanol, 4-cyclopentyl-alpha-(((1-methylethyl)amino)methyl)-, (Z)-2-butenedioate (1:1), (Z)-but-2-enedioic acid; N-[(4-cyclopentylphenyl)methoxymethyl]propan-2-amine, N-{[(4-Cyclopentylbenzyl)oxy]methyl}-2-propanamine (2Z)-2-butened ioate (1:1)
| Molecular Formula | C20H29NO5 |
|---|---|
| Molecular Weight | 363.20 g/mol |
| LogP | 3.5281 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.20456 |
| Heavy Atoms | 26 |
| Complexity | 558.36926 |
Chemical Identifiers
| CAS Number | 85689-83-4 |
|---|---|
| SMILES | CC(C)NCOCC1=CC=C(C=C1)C2CCCC2.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1078527 (CAS 85689-83-4), with molecular formula C20H29NO5 and molecular weight 363.20 g/mol. IUPAC: (Z)-but-2-enedioic acid;N-[(4-cyclopentylphenyl)methoxymethyl]propan-2-amine.
Chemical Property Profile of RefChem:1078527
Property Insights of RefChem:1078527
The XLogP value of 3.5281 indicates that RefChem:1078527 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078527. Following Lipinski's Rule of Five, RefChem:1078527 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:1078527?
The CAS number of RefChem:1078527 is 85689-83-4.
What is the molecular formula of RefChem:1078527?
The molecular formula of RefChem:1078527 is C20H29NO5.
What is the molecular weight of RefChem:1078527?
The molecular weight of RefChem:1078527 is 363.20 g/mol.
Where can I buy RefChem:1078527?
You can request a quote for RefChem:1078527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078527?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.