RefChem:1071458
TL;DR: RefChem:1071458 (CAS 130820-40-5) is a chemical compound with molecular formula C25H29NO5 and molecular weight 423.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(4-cyclopropylphenyl)piperidin-4-ol;(E)-but-2-enedioic acid
Also Known As: 1-Benzyl-4-(4-cyclopropylphenyl)piperidine-4-ol maleate, 4-Piperidinol, 4-(4-cyclopropylphenyl)-1-(phenylmethyl)-, (Z)-2-butenedioate (1:1) (salt), 1-benzyl-4-(4-cyclopropylphenyl)piperidin-4-ol; (E)-but-2-enedioic acid, RefChem:1071458
| Molecular Formula | C25H29NO5 |
|---|---|
| Molecular Weight | 423.20 g/mol |
| LogP | 3.7594 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.20456 |
| Heavy Atoms | 31 |
| Complexity | 879.2694 |
Chemical Identifiers
| CAS Number | 130820-40-5 |
|---|---|
| SMILES | C1CC1C2=CC=C(C=C2)C3(CCN(CC3)CC4=CC=CC=C4)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1071458 (CAS 130820-40-5), with molecular formula C25H29NO5 and molecular weight 423.20 g/mol. IUPAC: 1-benzyl-4-(4-cyclopropylphenyl)piperidin-4-ol;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1071458
Property Insights of RefChem:1071458
The XLogP value of 3.7594 indicates that RefChem:1071458 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:1071458. Following Lipinski's Rule of Five, RefChem:1071458 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:1071458?
The CAS number of RefChem:1071458 is 130820-40-5.
What is the molecular formula of RefChem:1071458?
The molecular formula of RefChem:1071458 is C25H29NO5.
What is the molecular weight of RefChem:1071458?
The molecular weight of RefChem:1071458 is 423.20 g/mol.
Where can I buy RefChem:1071458?
You can request a quote for RefChem:1071458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071458?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.