RefChem:1071431
TL;DR: RefChem:1071431 (CAS 59083-37-3) is a chemical compound with molecular formula C23H27NO5 and molecular weight 397.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzyl-4-phenylpiperidin-4-yl)methanol;(Z)-but-2-enedioic acid
Also Known As: 1-Benzyl-4-phenylpiperidine-4-methanol maleate, 4-Phenyl-1-(phenylmethyl)-4-piperidinemethanol (Z)-2-butenedioate (1:1) (salt), 4-Piperidinemethanol, 4-phenyl-1-(phenylmethyl)-, (Z)-2-butenedioate (1:1) (salt), (1-benzyl-4-phenylpiperidin-4-yl)methanol; (Z)-but-2-enedioic acid, RefChem:1071431
| Molecular Formula | C23H27NO5 |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 2.9245 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.18893 |
| Heavy Atoms | 29 |
| Complexity | 780.5326 |
Chemical Identifiers
| CAS Number | 59083-37-3 |
|---|---|
| SMILES | C1CN(CCC1(CO)C2=CC=CC=C2)CC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1071431 (CAS 59083-37-3), with molecular formula C23H27NO5 and molecular weight 397.19 g/mol. IUPAC: (1-benzyl-4-phenylpiperidin-4-yl)methanol;(Z)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1071431
Property Insights of RefChem:1071431
The XLogP value of 2.9245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071431. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071431. Following Lipinski's Rule of Five, RefChem:1071431 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:1071431?
The CAS number of RefChem:1071431 is 59083-37-3.
What is the molecular formula of RefChem:1071431?
The molecular formula of RefChem:1071431 is C23H27NO5.
What is the molecular weight of RefChem:1071431?
The molecular weight of RefChem:1071431 is 397.19 g/mol.
Where can I buy RefChem:1071431?
You can request a quote for RefChem:1071431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071431?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.