3,3'-Diphthalide
TL;DR: 3,3'-Diphthalide (CAS 4281-21-4) is a chemical compound with molecular formula C16H10O4 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-oxo-1H-2-benzofuran-1-yl)-3H-2-benzofuran-1-one
Also Known As: 3,3'-Diphthalide, bi-3-phthalidyl, TimTec1_003063, 3-(3-oxo-1H-2-benzofuran-1-yl)-3H-2-benzofuran-1-one, [1,1'-Biisobenzofuran]-3,3'(1H,1'H)-dione
| Molecular Formula | C16H10O4 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 2.8098 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.05792 |
| Heavy Atoms | 20 |
| Complexity | 671.26166 |
Chemical Identifiers
| CAS Number | 4281-21-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)C3C4=CC=CC=C4C(=O)O3 |
Product Overview
3,3'-Diphthalide (CAS 4281-21-4), with molecular formula C16H10O4 and molecular weight 266.06 g/mol. IUPAC: 3-(3-oxo-1H-2-benzofuran-1-yl)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3,3'-Diphthalide
Property Insights of 3,3'-Diphthalide
The XLogP value of 2.8098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Diphthalide. With a topological polar surface area (TPSA) of 52.6 Ų, 3,3'-Diphthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Diphthalide has 0 hydrogen bond donor(s) and 4 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'-Diphthalide?
The CAS number of 3,3'-Diphthalide is 4281-21-4.
What is the molecular formula of 3,3'-Diphthalide?
The molecular formula of 3,3'-Diphthalide is C16H10O4.
What is the molecular weight of 3,3'-Diphthalide?
The molecular weight of 3,3'-Diphthalide is 266.06 g/mol.
Where can I buy 3,3'-Diphthalide?
You can request a quote for 3,3'-Diphthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Diphthalide?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Diphthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.