4-氯苯甲醚
TL;DR: 4-氯苯甲醚 (CAS 623-12-1) is a chemical compound with molecular formula C7H7ClO and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苯甲醚
1-chloro-4-methoxybenzene
Also Known As: 4-Chloroanisole, 1-Chloro-4-methoxybenzene, P-CHLOROANISOLE, Anisyl chloride, Anisole, p-chloro-
| Molecular Formula | C7H7ClO |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.01854 |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
| Vapor Pressure | 0.81 [mmHg] |
Chemical Identifiers
| CAS Number | 623-12-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)Cl |
| InChIKey | YRGAYAGBVIXNAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苯甲醚 (CAS 623-12-1), with molecular formula C7H7ClO and molecular weight 142.02 g/mol. IUPAC: 1-chloro-4-methoxybenzene.
Chemical Property Profile of 4-氯苯甲醚
Property Insights of 4-氯苯甲醚
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯苯甲醚. With a topological polar surface area (TPSA) of 9.2 Ų, 4-氯苯甲醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苯甲醚 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 4-氯苯甲醚?
The CAS number of 4-氯苯甲醚 is 623-12-1.
What is the molecular formula of 4-氯苯甲醚?
The molecular formula of 4-氯苯甲醚 is C7H7ClO.
What is the molecular weight of 4-氯苯甲醚?
The molecular weight of 4-氯苯甲醚 is 142.02 g/mol.
Where can I buy 4-氯苯甲醚?
You can request a quote for 4-氯苯甲醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苯甲醚?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苯甲醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.