3-Chloro-4-isopropoxyphenylacetonitrile
TL;DR: 3-Chloro-4-isopropoxyphenylacetonitrile (CAS 34926-25-5) 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.
2-(3-chloro-4-propan-2-yloxyphenyl)acetonitrile
Also Known As: 3-Chloro-4-isopropoxyphenylacetonitrile, EINECS 252-293-1, 3-Chloro-4-isopropoxybenzeneacetonitrile, 2-(3-chloro-4-isopropoxyphenyl)acetonitrile, 2-(3-chloro-4-propan-2-yloxyphenyl)acetonitrile
| Molecular Formula | C11H12ClNO |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 3.19328 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.06075 |
| Heavy Atoms | 14 |
| Complexity | 354.79544 |
Chemical Identifiers
| CAS Number | 34926-25-5 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)CC#N)Cl |
Product Overview
3-Chloro-4-isopropoxyphenylacetonitrile (CAS 34926-25-5), with molecular formula C11H12ClNO and molecular weight 209.06 g/mol. IUPAC: 2-(3-chloro-4-propan-2-yloxyphenyl)acetonitrile.
Chemical Property Profile of 3-Chloro-4-isopropoxyphenylacetonitrile
Property Insights of 3-Chloro-4-isopropoxyphenylacetonitrile
The XLogP value of 3.19328 indicates that 3-Chloro-4-isopropoxyphenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 3-Chloro-4-isopropoxyphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-isopropoxyphenylacetonitrile 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 3-Chloro-4-isopropoxyphenylacetonitrile?
The CAS number of 3-Chloro-4-isopropoxyphenylacetonitrile is 34926-25-5.
What is the molecular formula of 3-Chloro-4-isopropoxyphenylacetonitrile?
The molecular formula of 3-Chloro-4-isopropoxyphenylacetonitrile is C11H12ClNO.
What is the molecular weight of 3-Chloro-4-isopropoxyphenylacetonitrile?
The molecular weight of 3-Chloro-4-isopropoxyphenylacetonitrile is 209.06 g/mol.
Where can I buy 3-Chloro-4-isopropoxyphenylacetonitrile?
You can request a quote for 3-Chloro-4-isopropoxyphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-isopropoxyphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-isopropoxyphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.