戊间甲酚
TL;DR: 戊间甲酚 (CAS 1300-94-3) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊间甲酚
5-methyl-2-pentylphenol
Also Known As: Amylmetacresol, 5-Methyl-2-pentylphenol, 6-Pentyl-m-cresol, amylmetacresolum, 6-Amyl-m-cresol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 133.0 |
| Melting Point | 24 |
| Boiling Point | 258 |
| Solubility | not soluble |
Chemical Identifiers
| CAS Number | 1300-94-3 |
|---|---|
| SMILES | CCCCCC1=C(C=C(C=C1)C)O |
| InChIKey | CKGWFZQGEQJZIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
戊间甲酚 (CAS 1300-94-3), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 5-methyl-2-pentylphenol.
Chemical Property Profile of 戊间甲酚
Property Insights of 戊间甲酚
The XLogP value of 4.4 indicates that 戊间甲酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 戊间甲酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊间甲酚 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 戊间甲酚?
The CAS number of 戊间甲酚 is 1300-94-3.
What is the molecular formula of 戊间甲酚?
The molecular formula of 戊间甲酚 is C12H18O.
What is the molecular weight of 戊间甲酚?
The molecular weight of 戊间甲酚 is 178.14 g/mol.
Where can I buy 戊间甲酚?
You can request a quote for 戊间甲酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊间甲酚?
Yes, KEHONG BIO provides custom synthesis services for 戊间甲酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.