![1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one structure](/static/products/6748/674807-94-4.webp)
1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one
TL;DR: 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one (CAS 674807-94-4) is a chemical compound with molecular formula C30H27F3N2O3 and molecular weight 520.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-5-propanoyl-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one, A3389/0143778, 1-(1-hydroxy-3-(4-methoxyphenyl)-11-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)propan-1-one, 3-(4-methoxyphenyl)-10-propanoyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(4-METHOXYPHENYL)-10-PROPIONYL-11-[4-(TRIFLUOROMETHYL)PHENYL]-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
| Molecular Formula | C30H27F3N2O3 |
|---|---|
| Molecular Weight | 520.20 g/mol |
| LogP | 7.0246 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.1974 |
| Heavy Atoms | 38 |
| Complexity | 1395.4905 |
Chemical Identifiers
| CAS Number | 674807-94-4 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC4=CC=CC=C41)C5=CC=C(C=C5)C(F)(F)F |
Product Overview
1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one (CAS 674807-94-4), with molecular formula C30H27F3N2O3 and molecular weight 520.20 g/mol. IUPAC: 9-(4-methoxyphenyl)-5-propanoyl-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one
Property Insights of 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one
The XLogP value of 7.0246 indicates that 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-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, 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one?
The CAS number of 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one is 674807-94-4.
What is the molecular formula of 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one?
The molecular formula of 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one is C30H27F3N2O3.
What is the molecular weight of 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one?
The molecular weight of 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one is 520.20 g/mol.
Where can I buy 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one?
You can request a quote for 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-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-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{1-hydroxy-3-(4-methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.