4-氯间苯二酚
TL;DR: 4-氯间苯二酚 (CAS 95-88-5) is a chemical compound with molecular formula C6H5ClO2 and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯间苯二酚
4-chlorobenzene-1,3-diol
Also Known As: 4-Chlororesorcinol, 4-chlorobenzene-1,3-diol, 4-Chlororesorcin, p-Chlororesorcinol, 6-Chlororesorcinol
| Molecular Formula | C6H5ClO2 |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.9978 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| Vapor Pressure | 0.0012 [mmHg] |
Chemical Identifiers
| CAS Number | 95-88-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)O)Cl |
| InChIKey | JQVAPEJNIZULEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯间苯二酚 (CAS 95-88-5), with molecular formula C6H5ClO2 and molecular weight 144.00 g/mol. IUPAC: 4-chlorobenzene-1,3-diol.
Chemical Property Profile of 4-氯间苯二酚
Property Insights of 4-氯间苯二酚
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯间苯二酚. With a topological polar surface area (TPSA) of 40.5 Ų, 4-氯间苯二酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯间苯二酚 has 2 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-氯间苯二酚?
The CAS number of 4-氯间苯二酚 is 95-88-5.
What is the molecular formula of 4-氯间苯二酚?
The molecular formula of 4-氯间苯二酚 is C6H5ClO2.
What is the molecular weight of 4-氯间苯二酚?
The molecular weight of 4-氯间苯二酚 is 144.00 g/mol.
Where can I buy 4-氯间苯二酚?
You can request a quote for 4-氯间苯二酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯间苯二酚?
Yes, KEHONG BIO provides custom synthesis services for 4-氯间苯二酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.