百里酚酞
TL;DR: 百里酚酞 (CAS 125-20-2) is a chemical compound with molecular formula C28H30O4 and molecular weight 430.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
百里酚酞
3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
Also Known As: THYMOLPHTHALEIN, Thymophthalein, thymolphthaleine, Thymolphthalein ACS, Thymol phenolphthalein
| Molecular Formula | C28H30O4 |
|---|---|
| Molecular Weight | 430.21 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.21442 |
| Heavy Atoms | 32 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 125-20-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O |
| InChIKey | LDKDGDIWEUUXSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
百里酚酞 (CAS 125-20-2), with molecular formula C28H30O4 and molecular weight 430.21 g/mol. IUPAC: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one.
Chemical Property Profile of 百里酚酞
Property Insights of 百里酚酞
The XLogP value of 6.8 indicates that 百里酚酞 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 百里酚酞. Following Lipinski's Rule of Five, 百里酚酞 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 百里酚酞?
The CAS number of 百里酚酞 is 125-20-2.
What is the molecular formula of 百里酚酞?
The molecular formula of 百里酚酞 is C28H30O4.
What is the molecular weight of 百里酚酞?
The molecular weight of 百里酚酞 is 430.21 g/mol.
Where can I buy 百里酚酞?
You can request a quote for 百里酚酞 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 百里酚酞?
Yes, KEHONG BIO provides custom synthesis services for 百里酚酞 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.