1-(Chloroethynyl)-4-methoxybenzene
TL;DR: 1-(Chloroethynyl)-4-methoxybenzene (CAS 33491-06-4) is a chemical compound with molecular formula C9H7ClO and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethynyl)-4-methoxybenzene
Also Known As: 1-(chloroethynyl)-4-methoxybenzene, 4-(Chloroethynyl)anisole, 4-(2-Chloroethynyl)anisole, 1-(2-chloroethynyl)-4-methoxybenzene, 2-Chloro-4-methoxyphenylacetylene
| Molecular Formula | C9H7ClO |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.01854 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 33491-06-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C#CCl |
| InChIKey | ILJZGRRJJPWXBR-UHFFFAOYSA-N |
Product Overview
1-(Chloroethynyl)-4-methoxybenzene (CAS 33491-06-4), with molecular formula C9H7ClO and molecular weight 166.02 g/mol. IUPAC: 1-(2-chloroethynyl)-4-methoxybenzene.
Chemical Property Profile of 1-(Chloroethynyl)-4-methoxybenzene
Property Insights of 1-(Chloroethynyl)-4-methoxybenzene
The XLogP value of 3.5 indicates that 1-(Chloroethynyl)-4-methoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(Chloroethynyl)-4-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloroethynyl)-4-methoxybenzene has 0 hydrogen bond donor(s) and 1 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 1-(Chloroethynyl)-4-methoxybenzene?
The CAS number of 1-(Chloroethynyl)-4-methoxybenzene is 33491-06-4.
What is the molecular formula of 1-(Chloroethynyl)-4-methoxybenzene?
The molecular formula of 1-(Chloroethynyl)-4-methoxybenzene is C9H7ClO.
What is the molecular weight of 1-(Chloroethynyl)-4-methoxybenzene?
The molecular weight of 1-(Chloroethynyl)-4-methoxybenzene is 166.02 g/mol.
Where can I buy 1-(Chloroethynyl)-4-methoxybenzene?
You can request a quote for 1-(Chloroethynyl)-4-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloroethynyl)-4-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloroethynyl)-4-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.