2-Chloro-4-ethynyl-1-methoxybenzene
TL;DR: 2-Chloro-4-ethynyl-1-methoxybenzene (CAS 120136-29-0) 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.
2-chloro-4-ethynyl-1-methoxybenzene
Also Known As: 2-chloro-4-ethynyl-1-methoxybenzene, Benzene, 2-chloro-4-ethynyl-1-methoxy-, 3-Cl-4-CH3O-C6H3-CCH, Methyl 2-chloro-4-ethynylphenyl ether, 2-chloro-4-ethynyl-1-methoxy-benzene
| Molecular Formula | C9H7ClO |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 2.3299 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.01854 |
| Heavy Atoms | 11 |
| Complexity | 298.9213 |
Chemical Identifiers
| CAS Number | 120136-29-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C#C)Cl |
Product Overview
2-Chloro-4-ethynyl-1-methoxybenzene (CAS 120136-29-0), with molecular formula C9H7ClO and molecular weight 166.02 g/mol. IUPAC: 2-chloro-4-ethynyl-1-methoxybenzene.
Chemical Property Profile of 2-Chloro-4-ethynyl-1-methoxybenzene
Property Insights of 2-Chloro-4-ethynyl-1-methoxybenzene
The XLogP value of 2.3299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-ethynyl-1-methoxybenzene. With a topological polar surface area (TPSA) of 9.23 Ų, 2-Chloro-4-ethynyl-1-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-ethynyl-1-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 2-Chloro-4-ethynyl-1-methoxybenzene?
The CAS number of 2-Chloro-4-ethynyl-1-methoxybenzene is 120136-29-0.
What is the molecular formula of 2-Chloro-4-ethynyl-1-methoxybenzene?
The molecular formula of 2-Chloro-4-ethynyl-1-methoxybenzene is C9H7ClO.
What is the molecular weight of 2-Chloro-4-ethynyl-1-methoxybenzene?
The molecular weight of 2-Chloro-4-ethynyl-1-methoxybenzene is 166.02 g/mol.
Where can I buy 2-Chloro-4-ethynyl-1-methoxybenzene?
You can request a quote for 2-Chloro-4-ethynyl-1-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-ethynyl-1-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-ethynyl-1-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.