![1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one structure](/static/products/488/488133-82-0.png)
1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one
TL;DR: 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one (CAS 488133-82-0) is a chemical compound with molecular formula C31H30Cl2N2O2 and molecular weight 532.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dichlorophenyl)-5-(3-methylbutanoyl)-6-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one, 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)(2,3,4-trihydro-11H-ben zo[b]benzo[1,2-e]1,4-diazepin-10-yl)]-3-methylbutan-1-one, 14-(3,4-DICHLOROPHENYL)-9-(3-METHYLBUTANOYL)-10-(4-METHYLPHENYL)-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3(8),4,6-TETRAEN-12-ONE, 3-(3,4-dichlorophenyl)-10-(3-methylbutanoyl)-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(3,4-dichlorophenyl)-10-(3-methylbutanoyl)-11-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C31H30Cl2N2O2 |
|---|---|
| Molecular Weight | 532.17 g/mol |
| LogP | 8.24852 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 532.16846 |
| Heavy Atoms | 37 |
| Complexity | 1394.5719 |
Chemical Identifiers
| CAS Number | 488133-82-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)Cl)Cl)NC5=CC=CC=C5N2C(=O)CC(C)C |
Product Overview
1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one (CAS 488133-82-0), with molecular formula C31H30Cl2N2O2 and molecular weight 532.17 g/mol. IUPAC: 9-(3,4-dichlorophenyl)-5-(3-methylbutanoyl)-6-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one
Property Insights of 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one
The XLogP value of 8.24852 indicates that 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one?
The CAS number of 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one is 488133-82-0.
What is the molecular formula of 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one?
The molecular formula of 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one is C31H30Cl2N2O2.
What is the molecular weight of 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one?
The molecular weight of 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one is 532.17 g/mol.
Where can I buy 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one?
You can request a quote for 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.