对甲酚
TL;DR: 对甲酚 (CAS 106-44-5) is a chemical compound with molecular formula C7H8O and molecular weight 108.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对甲酚
4-methylphenol
Also Known As: P-CRESOL, 4-Methylphenol, 4-Cresol, 4-Hydroxytoluene, p-Methylphenol
| Molecular Formula | C7H8O |
|---|---|
| Molecular Weight | 108.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.05752 |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
| Melting Point | 34.8 °C |
| Boiling Point | 201.8 °C at 760 mmHg |
| Density | 1.034 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 86.1 °C |
| Vapor Pressure | 0.04 mmHg at 20.0 °C ; 0.11 mmHg at 25.0 °C |
| Refractive Index | = 1.5395 at 20 °C |
Chemical Identifiers
| CAS Number | 106-44-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)O |
| InChIKey | IWDCLRJOBJJRNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲酚 (CAS 106-44-5), with molecular formula C7H8O and molecular weight 108.06 g/mol. IUPAC: 4-methylphenol.
Chemical Property Profile of 对甲酚
Property Insights of 对甲酚
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对甲酚. With a topological polar surface area (TPSA) of 20.2 Ų, 对甲酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对甲酚 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 对甲酚?
The CAS number of 对甲酚 is 106-44-5.
What is the molecular formula of 对甲酚?
The molecular formula of 对甲酚 is C7H8O.
What is the molecular weight of 对甲酚?
The molecular weight of 对甲酚 is 108.06 g/mol.
Where can I buy 对甲酚?
You can request a quote for 对甲酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲酚?
Yes, KEHONG BIO provides custom synthesis services for 对甲酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.