3,3-di(p-tolyl) phthalide
TL;DR: 3,3-di(p-tolyl) phthalide (CAS 28864-65-5) is a chemical compound with molecular formula C22H18O2 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(4-methylphenyl)-2-benzofuran-1-one
Also Known As: 3,3-di(p-tolyl) phthalide, ZERO/001485, 1(3H)-Isobenzofuranone, 3,3-bis(4-methylphenyl)-, 3,3-bis(p-tolyl)isobenzofuran-1-one, 3,3-bis(4-methylphenyl)-2-benzofuran-1-one
| Molecular Formula | C22H18O2 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 4.76574 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.13068 |
| Heavy Atoms | 24 |
| Complexity | 859.9598 |
Chemical Identifiers
| CAS Number | 28864-65-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)C |
Product Overview
3,3-di(p-tolyl) phthalide (CAS 28864-65-5), with molecular formula C22H18O2 and molecular weight 314.13 g/mol. IUPAC: 3,3-bis(4-methylphenyl)-2-benzofuran-1-one.
Chemical Property Profile of 3,3-di(p-tolyl) phthalide
Property Insights of 3,3-di(p-tolyl) phthalide
The XLogP value of 4.76574 indicates that 3,3-di(p-tolyl) phthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3-di(p-tolyl) phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-di(p-tolyl) phthalide has 0 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 3,3-di(p-tolyl) phthalide?
The CAS number of 3,3-di(p-tolyl) phthalide is 28864-65-5.
What is the molecular formula of 3,3-di(p-tolyl) phthalide?
The molecular formula of 3,3-di(p-tolyl) phthalide is C22H18O2.
What is the molecular weight of 3,3-di(p-tolyl) phthalide?
The molecular weight of 3,3-di(p-tolyl) phthalide is 314.13 g/mol.
Where can I buy 3,3-di(p-tolyl) phthalide?
You can request a quote for 3,3-di(p-tolyl) phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-di(p-tolyl) phthalide?
Yes, KEHONG BIO provides custom synthesis services for 3,3-di(p-tolyl) phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.