酚甲烷
TL;DR: 酚甲烷 (CAS 80-05-7) is a chemical compound with molecular formula C15H16O2 and molecular weight 228.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酚甲烷
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Also Known As: Bisphenol A, Bisphenol, Diano, Diphenylolpropane, Rikabanol
| Molecular Formula | C15H16O2 |
|---|---|
| Molecular Weight | 228.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.11504 |
| Heavy Atoms | 17 |
| Complexity | 209.0 |
| Melting Point | 307 to 156.1 °C |
| Boiling Point | 220.0 °C at 4 mmHg |
| Density | 1.195 at 25.0 °C |
| Solubility | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
| Flash Point | 79.4 °C |
| Vapor Pressure | 0.2 mmHg at 170.0 °C ; 1 mmHg at 193.0 °C |
Chemical Identifiers
| CAS Number | 80-05-7 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
| InChIKey | IISBACLAFKSPIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酚甲烷 (CAS 80-05-7), with molecular formula C15H16O2 and molecular weight 228.12 g/mol. IUPAC: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
Chemical Property Profile of 酚甲烷
Property Insights of 酚甲烷
The XLogP value of 3.3 indicates that 酚甲烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 酚甲烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 酚甲烷 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 酚甲烷?
The CAS number of 酚甲烷 is 80-05-7.
What is the molecular formula of 酚甲烷?
The molecular formula of 酚甲烷 is C15H16O2.
What is the molecular weight of 酚甲烷?
The molecular weight of 酚甲烷 is 228.12 g/mol.
Where can I buy 酚甲烷?
You can request a quote for 酚甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酚甲烷?
Yes, KEHONG BIO provides custom synthesis services for 酚甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.