对氯间二甲苯酚
TL;DR: 对氯间二甲苯酚 (CAS 88-04-0) is a chemical compound with molecular formula C8H9ClO and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对氯间二甲苯酚
4-chloro-3,5-dimethylphenol
Also Known As: chloroxylenol, 4-Chloro-3,5-dimethylphenol, Dettol, Benzytol, PCMX
| Molecular Formula | C8H9ClO |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.0342 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
| Melting Point | 112-116 degrees Celsius |
| Boiling Point | 246 |
| Density | 0.89 g/ml at 20 °C |
| Solubility | 0.03 |
| Vapor Pressure | 0.0018 [mmHg] |
Chemical Identifiers
| CAS Number | 88-04-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)O |
| InChIKey | OSDLLIBGSJNGJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对氯间二甲苯酚 (CAS 88-04-0), with molecular formula C8H9ClO and molecular weight 156.03 g/mol. IUPAC: 4-chloro-3,5-dimethylphenol.
Chemical Property Profile of 对氯间二甲苯酚
Property Insights of 对氯间二甲苯酚
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对氯间二甲苯酚. With a topological polar surface area (TPSA) of 20.2 Ų, 对氯间二甲苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对氯间二甲苯酚 has 1 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 对氯间二甲苯酚?
The CAS number of 对氯间二甲苯酚 is 88-04-0.
What is the molecular formula of 对氯间二甲苯酚?
The molecular formula of 对氯间二甲苯酚 is C8H9ClO.
What is the molecular weight of 对氯间二甲苯酚?
The molecular weight of 对氯间二甲苯酚 is 156.03 g/mol.
Where can I buy 对氯间二甲苯酚?
You can request a quote for 对氯间二甲苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对氯间二甲苯酚?
Yes, KEHONG BIO provides custom synthesis services for 对氯间二甲苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.