![1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one structure](/static/products/442/442570-08-3.png)
1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
TL;DR: 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one (CAS 442570-08-3) is a chemical compound with molecular formula C31H33N3O2 and molecular weight 479.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hexanoyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one, 10-hexanoyl-11-(pyridin-3-yl)-3-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-HEXANOYL-3-(4-METHYLPHENYL)-11-(3-PYRIDYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 5-hexanoyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C31H33N3O2 |
|---|---|
| Molecular Weight | 479.26 g/mol |
| LogP | 6.87092 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.25726 |
| Heavy Atoms | 36 |
| Complexity | 1280.6875 |
Chemical Identifiers
| CAS Number | 442570-08-3 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C)NC4=CC=CC=C41)C5=CN=CC=C5 |
Product Overview
1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one (CAS 442570-08-3), with molecular formula C31H33N3O2 and molecular weight 479.26 g/mol. IUPAC: 5-hexanoyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
Property Insights of 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
The XLogP value of 6.87092 indicates that 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one. Following Lipinski's Rule of Five, 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-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-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
The CAS number of 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one is 442570-08-3.
What is the molecular formula of 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
The molecular formula of 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one is C31H33N3O2.
What is the molecular weight of 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
The molecular weight of 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one is 479.26 g/mol.
Where can I buy 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
You can request a quote for 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-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-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.