3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one
TL;DR: 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one (CAS 13114-96-0) is a chemical compound with molecular formula C33H22Cl2O2 and molecular weight 520.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1-one
Also Known As: 3-(dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one, 1,1,1,3,5,5,5-heptafluoro-4-trifluoromethyl-pent-2-ene, 3-(Dichloromethylene)-4,5,6,7-tetraphenyl-3,3a-dihydroisobenzofuran-1(7aH)-one, 3-(dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-, 3-(dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1-one
| Molecular Formula | C33H22Cl2O2 |
|---|---|
| Molecular Weight | 520.10 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.0997 |
| Heavy Atoms | 37 |
| Complexity | 947.0 |
Chemical Identifiers
| CAS Number | 13114-96-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=C(C3C2C(=C(Cl)Cl)OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | OIJNCMQCNBTSIP-UHFFFAOYSA-N |
Product Overview
3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one (CAS 13114-96-0), with molecular formula C33H22Cl2O2 and molecular weight 520.10 g/mol. IUPAC: 3-(dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1-one.
Chemical Property Profile of 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one
Property Insights of 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one
The XLogP value of 7.6 indicates that 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one 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-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one?
The CAS number of 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one is 13114-96-0.
What is the molecular formula of 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one?
The molecular formula of 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one is C33H22Cl2O2.
What is the molecular weight of 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one?
The molecular weight of 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one is 520.10 g/mol.
Where can I buy 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one?
You can request a quote for 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dichloromethylidene)-4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.