己基间苯二酚
TL;DR: 己基间苯二酚 (CAS 136-77-6) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己基间苯二酚
4-hexylbenzene-1,3-diol
Also Known As: hexylresorcinol, 4-Hexylresorcinol, 4-hexylbenzene-1,3-diol, Antascarin, Ascaricid
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 147.0 |
| Melting Point | 154 to 68.9 °C |
| Boiling Point | 332.8 °C at 760 mmHg |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Vapor Pressure | 0.00000845 [mmHg] |
| Refractive Index | = -53 at 20 °C (aq HCl) |
Chemical Identifiers
| CAS Number | 136-77-6 |
|---|---|
| SMILES | CCCCCCC1=C(C=C(C=C1)O)O |
| InChIKey | WFJIVOKAWHGMBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己基间苯二酚 (CAS 136-77-6), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 4-hexylbenzene-1,3-diol.
Chemical Property Profile of 己基间苯二酚
Property Insights of 己基间苯二酚
The XLogP value of 3.5 indicates that 己基间苯二酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 己基间苯二酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己基间苯二酚 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 己基间苯二酚?
The CAS number of 己基间苯二酚 is 136-77-6.
What is the molecular formula of 己基间苯二酚?
The molecular formula of 己基间苯二酚 is C12H18O2.
What is the molecular weight of 己基间苯二酚?
The molecular weight of 己基间苯二酚 is 194.13 g/mol.
Where can I buy 己基间苯二酚?
You can request a quote for 己基间苯二酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己基间苯二酚?
Yes, KEHONG BIO provides custom synthesis services for 己基间苯二酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.