![11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5178/517868-87-0.webp)
11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 517868-87-0) is a chemical compound with molecular formula C29H25ClN2O3 and molecular weight 484.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-9,9-dimethyl-5-(3-oxo-1H-2-benzofuran-1-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(4-CHLOROPHENYL)-3,3-DIMETHYL-10-(3-OXO-1,3-DIHYDRO-1-ISOBENZOFURANYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydroisobenzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-[11-(4-chlorophenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-benzofuran-1(3H)-one, 3-[11-(4-chlorophenyl)-3,3-dimethyl-1-oxo-2,3,4-trihydro-5H,11H-benzo[b]benzo[ 2,1-f]1,4-diazepin-10-yl]-3-hydroisobenzofuran-1-one
| Molecular Formula | C29H25ClN2O3 |
|---|---|
| Molecular Weight | 484.16 g/mol |
| LogP | 6.8256 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.15536 |
| Heavy Atoms | 35 |
| Complexity | 1393.0457 |
Chemical Identifiers
| CAS Number | 517868-87-0 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)O4)C6=CC=C(C=C6)Cl)C(=O)C1)C |
Product Overview
11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 517868-87-0), with molecular formula C29H25ClN2O3 and molecular weight 484.16 g/mol. IUPAC: 6-(4-chlorophenyl)-9,9-dimethyl-5-(3-oxo-1H-2-benzofuran-1-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 6.8256 indicates that 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-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, 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-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, 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-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 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 517868-87-0.
What is the molecular formula of 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C29H25ClN2O3.
What is the molecular weight of 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 484.16 g/mol.
Where can I buy 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-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 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 11-(4-chlorophenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-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.