4-丁基间苯二酚
TL;DR: 4-丁基间苯二酚 (CAS 18979-61-8) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-丁基间苯二酚
4-butylbenzene-1,3-diol
Also Known As: 4-Butylresorcinol, 4-butylbenzene-1,3-diol, Rucinol, Butylresorcinol, 4-n-Butylresorcinol
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 18979-61-8 |
|---|---|
| SMILES | CCCCC1=C(C=C(C=C1)O)O |
| InChIKey | CSHZYWUPJWVTMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-丁基间苯二酚 (CAS 18979-61-8), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 4-butylbenzene-1,3-diol.
Chemical Property Profile of 4-丁基间苯二酚
Property Insights of 4-丁基间苯二酚
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-丁基间苯二酚. With a topological polar surface area (TPSA) of 40.5 Ų, 4-丁基间苯二酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-丁基间苯二酚 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 4-丁基间苯二酚?
The CAS number of 4-丁基间苯二酚 is 18979-61-8.
What is the molecular formula of 4-丁基间苯二酚?
The molecular formula of 4-丁基间苯二酚 is C10H14O2.
What is the molecular weight of 4-丁基间苯二酚?
The molecular weight of 4-丁基间苯二酚 is 166.10 g/mol.
Where can I buy 4-丁基间苯二酚?
You can request a quote for 4-丁基间苯二酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-丁基间苯二酚?
Yes, KEHONG BIO provides custom synthesis services for 4-丁基间苯二酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.