4-Chloro-gamma-methoxybenzenebutyronitrile
TL;DR: 4-Chloro-gamma-methoxybenzenebutyronitrile (CAS 6940-82-5) is a chemical compound with molecular formula C11H12ClNO and molecular weight 209.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-4-methoxybutanenitrile
Also Known As: 4-Chloro-gamma-methoxybenzenebutyronitrile, 4-(4-chlorophenyl)-4-methoxybutanenitrile, 4-Chloro-gamma-methoxybenzenebutanenitrile, 4-Chloro-I(3)-methoxybenzenebutanenitrile, EINECS 230-090-9
| Molecular Formula | C11H12ClNO |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.06075 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 6940-82-5 |
|---|---|
| SMILES | COC(CCC#N)C1=CC=C(C=C1)Cl |
| InChIKey | ZMRXUCHXDOGQTA-UHFFFAOYSA-N |
Product Overview
4-Chloro-gamma-methoxybenzenebutyronitrile (CAS 6940-82-5), with molecular formula C11H12ClNO and molecular weight 209.06 g/mol. IUPAC: 4-(4-chlorophenyl)-4-methoxybutanenitrile.
Chemical Property Profile of 4-Chloro-gamma-methoxybenzenebutyronitrile
Property Insights of 4-Chloro-gamma-methoxybenzenebutyronitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-gamma-methoxybenzenebutyronitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 4-Chloro-gamma-methoxybenzenebutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-gamma-methoxybenzenebutyronitrile 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-methoxybenzenebutyronitrile?
The CAS number of 4-Chloro-gamma-methoxybenzenebutyronitrile is 6940-82-5.
What is the molecular formula of 4-Chloro-gamma-methoxybenzenebutyronitrile?
The molecular formula of 4-Chloro-gamma-methoxybenzenebutyronitrile is C11H12ClNO.
What is the molecular weight of 4-Chloro-gamma-methoxybenzenebutyronitrile?
The molecular weight of 4-Chloro-gamma-methoxybenzenebutyronitrile is 209.06 g/mol.
Where can I buy 4-Chloro-gamma-methoxybenzenebutyronitrile?
You can request a quote for 4-Chloro-gamma-methoxybenzenebutyronitrile 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-methoxybenzenebutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-gamma-methoxybenzenebutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.