4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile
TL;DR: 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile (CAS 6940-91-6) is a chemical compound with molecular formula C13H16ClNO and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-4-propan-2-yloxybutanenitrile
Also Known As: 4-(4-CHLOROPHENYL)-4-ISOPROPOXYBUTYRONITRILE, 4-(4-chlorophenyl)-4-(propan-2-yloxy)butanenitrile, 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile, 4-Chloro-gamma-(1-methylethoxy)benzenebutyronitrile, 4-(4-chlorophenyl)-4-propan-2-yloxybutanenitrile
| Molecular Formula | C13H16ClNO |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.09204 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 6940-91-6 |
|---|---|
| SMILES | CC(C)OC(CCC#N)C1=CC=C(C=C1)Cl |
| InChIKey | YBAIQXPHJJTGMX-UHFFFAOYSA-N |
Product Overview
4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile (CAS 6940-91-6), with molecular formula C13H16ClNO and molecular weight 237.09 g/mol. IUPAC: 4-(4-chlorophenyl)-4-propan-2-yloxybutanenitrile.
Chemical Property Profile of 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile
Property Insights of 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile
The XLogP value of 3.1 indicates that 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile has 0 hydrogen bond donor(s) and 2 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 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile?
The CAS number of 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile is 6940-91-6.
What is the molecular formula of 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile?
The molecular formula of 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile is C13H16ClNO.
What is the molecular weight of 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile?
The molecular weight of 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile is 237.09 g/mol.
Where can I buy 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile?
You can request a quote for 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.