![3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5178/517868-84-7.webp)
3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 517868-84-7) is a chemical compound with molecular formula C29H26N2O3 and molecular weight 450.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-5-(3-oxo-1H-2-benzofuran-1-yl)-6-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3,3-DIMETHYL-10-(3-OXO-1,3-DIHYDRO-1-ISOBENZOFURANYL)-11-PHENYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 3,3-dimethyl-10-(3-oxo-1,3-dihydroisobenzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(1-hydroxy-3,3-dimethyl-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-2-benzofuran-1(3H)-one, 3-(3,3-dimethyl-1-oxo-11-phenyl-2,3,4-trihydro-5H,11H-benzo[b]benzo[2,1-f]1,4- diazepin-10-yl)-3-hydroisobenzofuran-1-one
| Molecular Formula | C29H26N2O3 |
|---|---|
| Molecular Weight | 450.19 g/mol |
| LogP | 6.1722 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.19434 |
| Heavy Atoms | 34 |
| Complexity | 1342.2463 |
Chemical Identifiers
| CAS Number | 517868-84-7 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)O4)C6=CC=CC=C6)C(=O)C1)C |
Product Overview
3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 517868-84-7), with molecular formula C29H26N2O3 and molecular weight 450.19 g/mol. IUPAC: 9,9-dimethyl-5-(3-oxo-1H-2-benzofuran-1-yl)-6-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 6.1722 indicates that 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 517868-84-7.
What is the molecular formula of 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C29H26N2O3.
What is the molecular weight of 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 450.19 g/mol.
Where can I buy 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.