1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol
TL;DR: 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol (CAS 858-68-4) is a chemical compound with molecular formula C23H32ClNO3 and molecular weight 405.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethoxyphenyl)-1-phenyl-3-piperidin-1-ylbutan-1-ol;hydrochloride
Also Known As: YS 3635, KST-1B9257, 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol, 1-(2,5-dimethoxyphenyl)-1-phenyl-3-(piperidin-1-yl)butan-1-ol hydrochloride(1:1), alpha-(2,5-Dimethoxyphenyl)-gamma-methyl-alpha-phenyl-1-piperidinepropanol hydrochloride
| Molecular Formula | C23H32ClNO3 |
|---|---|
| Molecular Weight | 405.21 g/mol |
| LogP | 4.63 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.20706 |
| Heavy Atoms | 28 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 858-68-4 |
|---|---|
| SMILES | CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)N3CCCCC3.Cl |
| InChIKey | KNMNJRKLCVISHT-UHFFFAOYSA-N |
Product Overview
1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol (CAS 858-68-4), with molecular formula C23H32ClNO3 and molecular weight 405.21 g/mol. IUPAC: 1-(2,5-dimethoxyphenyl)-1-phenyl-3-piperidin-1-ylbutan-1-ol;hydrochloride.
Chemical Property Profile of 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol
Property Insights of 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol
The XLogP value of 4.63 indicates that 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol has 2 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 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol?
The CAS number of 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol is 858-68-4.
What is the molecular formula of 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol?
The molecular formula of 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol is C23H32ClNO3.
What is the molecular weight of 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol?
The molecular weight of 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol is 405.21 g/mol.
Where can I buy 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol?
You can request a quote for 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1-(2',5'-dimethoxyphenyl)-3-piperidinobutanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.