RefChem:1071459
TL;DR: RefChem:1071459 (CAS 130820-39-2) is a chemical compound with molecular formula C19H25NO5 and molecular weight 347.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-(4-cyclopropylphenyl)-1-methylpiperidin-4-ol
Also Known As: 4-(4-Cyclopropylphenyl)-1-methylpiperidine-1-ol maleate, 4-Piperidinol, 4-(4-cyclopropylphenyl)-1-methyl-, (Z)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; 4-(4-cyclopropylphenyl)-1-methylpiperidin-4-ol, RefChem:1071459
| Molecular Formula | C19H25NO5 |
|---|---|
| Molecular Weight | 347.17 g/mol |
| LogP | 2.189 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.17328 |
| Heavy Atoms | 25 |
| Complexity | 609.7195 |
Chemical Identifiers
| CAS Number | 130820-39-2 |
|---|---|
| SMILES | CN1CCC(CC1)(C2=CC=C(C=C2)C3CC3)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1071459 (CAS 130820-39-2), with molecular formula C19H25NO5 and molecular weight 347.17 g/mol. IUPAC: (E)-but-2-enedioic acid;4-(4-cyclopropylphenyl)-1-methylpiperidin-4-ol.
Chemical Property Profile of RefChem:1071459
Property Insights of RefChem:1071459
The XLogP value of 2.189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071459. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071459. Following Lipinski's Rule of Five, RefChem:1071459 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:1071459?
The CAS number of RefChem:1071459 is 130820-39-2.
What is the molecular formula of RefChem:1071459?
The molecular formula of RefChem:1071459 is C19H25NO5.
What is the molecular weight of RefChem:1071459?
The molecular weight of RefChem:1071459 is 347.17 g/mol.
Where can I buy RefChem:1071459?
You can request a quote for RefChem:1071459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071459?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.