RefChem:1078526
TL;DR: RefChem:1078526 (CAS 85689-98-1) is a chemical compound with molecular formula C27H35NO5 and molecular weight 453.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl(propan-2-yl)amino]-1-(4-cyclopentylphenyl)ethanol;(Z)-but-2-enedioic acid
Also Known As: Benzenemethanol, 4-cyclopentyl-alpha-(((1-methylethyl)(phenylmethyl)amino)methyl)-, (Z)-2-butenedioate, hydrate, benzenemethanol,4-cyclopentyl-alpha-(( -, -2-butenedioate,hydrate, 2-(benzyl-propan-2-yl-amino)-1-(4-cyclopentylphenyl)ethanol; But-2-enedioic Acid, 2-[benzyl(propan-2-yl)amino]-1-(4-cyclopentylphenyl)ethanol; (Z)-but-2-enedioic acid, RefChem:1078526
| Molecular Formula | C27H35NO5 |
|---|---|
| Molecular Weight | 453.25 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.25153 |
| Heavy Atoms | 33 |
| Complexity | 870.48755 |
Chemical Identifiers
| CAS Number | 85689-98-1 |
|---|---|
| SMILES | CC(C)N(CC1=CC=CC=C1)CC(C2=CC=C(C=C2)C3CCCC3)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1078526 (CAS 85689-98-1), with molecular formula C27H35NO5 and molecular weight 453.25 g/mol. IUPAC: 2-[benzyl(propan-2-yl)amino]-1-(4-cyclopentylphenyl)ethanol;(Z)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1078526
Property Insights of RefChem:1078526
The XLogP value of 5.0 indicates that RefChem:1078526 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:1078526. Following Lipinski's Rule of Five, RefChem:1078526 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:1078526?
The CAS number of RefChem:1078526 is 85689-98-1.
What is the molecular formula of RefChem:1078526?
The molecular formula of RefChem:1078526 is C27H35NO5.
What is the molecular weight of RefChem:1078526?
The molecular weight of RefChem:1078526 is 453.25 g/mol.
Where can I buy RefChem:1078526?
You can request a quote for RefChem:1078526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078526?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.