![6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one structure](/static/products/1023/1023485-44-0.webp)
6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
TL;DR: 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one (CAS 1023485-44-0) is a chemical compound with molecular formula C27H23ClF3N3O2 and molecular weight 513.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 11-[4-[3-Chloro-5-trifluoromethyl-2-pyridinyloxyphenyl]-hexahydro-3,3-dimethyl-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, C27H23ClF3N3O2
| Molecular Formula | C27H23ClF3N3O2 |
|---|---|
| Molecular Weight | 513.14 g/mol |
| LogP | 7.768 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 513.14307 |
| Heavy Atoms | 36 |
| Complexity | 1367.422 |
Chemical Identifiers
| CAS Number | 1023485-44-0 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC5=C(C=C(C=N5)C(F)(F)F)Cl)C(=O)C1)C |
Product Overview
6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one (CAS 1023485-44-0), with molecular formula C27H23ClF3N3O2 and molecular weight 513.14 g/mol. IUPAC: 6-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Property Insights of 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
The XLogP value of 7.768 indicates that 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one. Following Lipinski's Rule of Five, 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one has 2 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 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The CAS number of 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 1023485-44-0.
What is the molecular formula of 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The molecular formula of 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is C27H23ClF3N3O2.
What is the molecular weight of 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The molecular weight of 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 513.14 g/mol.
Where can I buy 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
You can request a quote for 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.