双酚B
TL;DR: 双酚B (CAS 77-40-7) is a chemical compound with molecular formula C16H18O2 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双酚B
4-[2-(4-hydroxyphenyl)butan-2-yl]phenol
Also Known As: Bisphenol B, 2,2-Bis(4-hydroxyphenyl)butane, 4,4'-(Butane-2,2-diyl)diphenol, bisphenol-B, acetamideoxime
| Molecular Formula | C16H18O2 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.13068 |
| Heavy Atoms | 18 |
| Complexity | 226.0 |
| Melting Point | 120.5 °C |
| Solubility | Approximate solubility per 100 g: water <0.1 g |
Chemical Identifiers
| CAS Number | 77-40-7 |
|---|---|
| SMILES | CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
| InChIKey | HTVITOHKHWFJKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双酚B (CAS 77-40-7), with molecular formula C16H18O2 and molecular weight 242.13 g/mol. IUPAC: 4-[2-(4-hydroxyphenyl)butan-2-yl]phenol.
Chemical Property Profile of 双酚B
Property Insights of 双酚B
The XLogP value of 3.9 indicates that 双酚B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 双酚B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双酚B 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 双酚B?
The CAS number of 双酚B is 77-40-7.
What is the molecular formula of 双酚B?
The molecular formula of 双酚B is C16H18O2.
What is the molecular weight of 双酚B?
The molecular weight of 双酚B is 242.13 g/mol.
Where can I buy 双酚B?
You can request a quote for 双酚B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双酚B?
Yes, KEHONG BIO provides custom synthesis services for 双酚B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.