2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile
TL;DR: 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile (CAS 36770-70-4) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-5-hydroxy-2-propan-2-ylpentanenitrile
Also Known As: 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile, 2-(3,4-dimethoxyphenyl)-5-hydroxy-2-propan-2-yl-pentanenitrile
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 2.89368 |
| Topological Polar Surface Area | 62.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 479.1006 |
Chemical Identifiers
| CAS Number | 36770-70-4 |
|---|---|
| SMILES | CC(C)C(CCCO)(C#N)C1=CC(=C(C=C1)OC)OC |
Product Overview
2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile (CAS 36770-70-4), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-5-hydroxy-2-propan-2-ylpentanenitrile.
Chemical Property Profile of 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile
Property Insights of 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile
The XLogP value of 2.89368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile. The TPSA of 62.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile. Following Lipinski's Rule of Five, 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile has 1 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 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile?
The CAS number of 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile is 36770-70-4.
What is the molecular formula of 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile?
The molecular formula of 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile is C16H23NO3.
What is the molecular weight of 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile?
The molecular weight of 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile is 277.17 g/mol.
Where can I buy 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile?
You can request a quote for 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethoxyphenyl)-5-hydroxy-2-isopropylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.