4-Benzyloxy-3-chloro-benzonitrile
TL;DR: 4-Benzyloxy-3-chloro-benzonitrile (CAS 142247-74-3) is a chemical compound with molecular formula C14H10ClNO and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-phenylmethoxybenzonitrile
Also Known As: 4-(Benzyloxy)-3-chlorobenzonitrile, 4-BENZYLOXY-3-CHLORO-BENZONITRILE, 3-chloro-4-phenylmethoxybenzonitrile, 4-(Benzyloxy)-2-chlorobenzonitrile, 2662AJ
| Molecular Formula | C14H10ClNO |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 3.79068 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.04509 |
| Heavy Atoms | 17 |
| Complexity | 545.8938 |
Chemical Identifiers
| CAS Number | 142247-74-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)Cl |
Product Overview
4-Benzyloxy-3-chloro-benzonitrile (CAS 142247-74-3), with molecular formula C14H10ClNO and molecular weight 243.05 g/mol. IUPAC: 3-chloro-4-phenylmethoxybenzonitrile.
Chemical Property Profile of 4-Benzyloxy-3-chloro-benzonitrile
Property Insights of 4-Benzyloxy-3-chloro-benzonitrile
The XLogP value of 3.79068 indicates that 4-Benzyloxy-3-chloro-benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 4-Benzyloxy-3-chloro-benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyloxy-3-chloro-benzonitrile 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-Benzyloxy-3-chloro-benzonitrile?
The CAS number of 4-Benzyloxy-3-chloro-benzonitrile is 142247-74-3.
What is the molecular formula of 4-Benzyloxy-3-chloro-benzonitrile?
The molecular formula of 4-Benzyloxy-3-chloro-benzonitrile is C14H10ClNO.
What is the molecular weight of 4-Benzyloxy-3-chloro-benzonitrile?
The molecular weight of 4-Benzyloxy-3-chloro-benzonitrile is 243.05 g/mol.
Where can I buy 4-Benzyloxy-3-chloro-benzonitrile?
You can request a quote for 4-Benzyloxy-3-chloro-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyloxy-3-chloro-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyloxy-3-chloro-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.