![1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one structure](/static/products/442/442570-32-3.png)
1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one
TL;DR: 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one (CAS 442570-32-3) is a chemical compound with molecular formula C31H31FN2O3 and molecular weight 498.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenyl)-9-(4-methoxyphenyl)-5-(3-methylbutanoyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one, 11-(4-fluorophenyl)-3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-fluorophenyl)-9-(4-methoxyphenyl)-5-(3-methylbutanoyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C31H31FN2O3 |
|---|---|
| Molecular Weight | 498.23 g/mol |
| LogP | 6.781 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.23187 |
| Heavy Atoms | 37 |
| Complexity | 1345.6259 |
Chemical Identifiers
| CAS Number | 442570-32-3 |
|---|---|
| SMILES | CC(C)CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC4=CC=CC=C41)C5=CC=C(C=C5)F |
Product Overview
1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one (CAS 442570-32-3), with molecular formula C31H31FN2O3 and molecular weight 498.23 g/mol. IUPAC: 6-(4-fluorophenyl)-9-(4-methoxyphenyl)-5-(3-methylbutanoyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one
Property Insights of 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one
The XLogP value of 6.781 indicates that 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-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 58.64 Ų, 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-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-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-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 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-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one?
The CAS number of 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one is 442570-32-3.
What is the molecular formula of 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one?
The molecular formula of 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one is C31H31FN2O3.
What is the molecular weight of 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one?
The molecular weight of 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one is 498.23 g/mol.
Where can I buy 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-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-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-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-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-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-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-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.