4-Chloro-6-propylbenzene-1,3-diol
TL;DR: 4-Chloro-6-propylbenzene-1,3-diol (CAS 6959-91-7) is a chemical compound with molecular formula C9H11ClO2 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-propylbenzene-1,3-diol
Also Known As: 4-chloro-6-propylbenzene-1,3-diol, 2-chloro-4-propyl-1,5-dihydroxybenzene, 1,3-Benzenediol,4-chloro-6-propyl-
| Molecular Formula | C9H11ClO2 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.04475 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 6959-91-7 |
|---|---|
| SMILES | CCCC1=CC(=C(C=C1O)O)Cl |
| InChIKey | BVQLOFHRRBYYLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-6-propylbenzene-1,3-diol (CAS 6959-91-7), with molecular formula C9H11ClO2 and molecular weight 186.04 g/mol. IUPAC: 4-chloro-6-propylbenzene-1,3-diol.
Chemical Property Profile of 4-Chloro-6-propylbenzene-1,3-diol
Property Insights of 4-Chloro-6-propylbenzene-1,3-diol
The XLogP value of 3.2 indicates that 4-Chloro-6-propylbenzene-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Chloro-6-propylbenzene-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-6-propylbenzene-1,3-diol 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-Chloro-6-propylbenzene-1,3-diol?
The CAS number of 4-Chloro-6-propylbenzene-1,3-diol is 6959-91-7.
What is the molecular formula of 4-Chloro-6-propylbenzene-1,3-diol?
The molecular formula of 4-Chloro-6-propylbenzene-1,3-diol is C9H11ClO2.
What is the molecular weight of 4-Chloro-6-propylbenzene-1,3-diol?
The molecular weight of 4-Chloro-6-propylbenzene-1,3-diol is 186.04 g/mol.
Where can I buy 4-Chloro-6-propylbenzene-1,3-diol?
You can request a quote for 4-Chloro-6-propylbenzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-6-propylbenzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-propylbenzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.