![1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one structure](/static/products/858/858742-71-9.png)
1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one
TL;DR: 1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one (CAS 858742-71-9) is a chemical compound with molecular formula C30H31N3O3 and molecular weight 481.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-5-(3-methylbutanoyl)-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-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one, 3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(4-methoxyphenyl)-5-(3-methylbutanoyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C30H31N3O3 |
|---|---|
| Molecular Weight | 481.24 g/mol |
| LogP | 6.0369 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.23654 |
| Heavy Atoms | 36 |
| Complexity | 1298.5292 |
Chemical Identifiers
| CAS Number | 858742-71-9 |
|---|---|
| SMILES | CC(C)CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC4=CC=CC=C41)C5=CN=CC=C5 |
Product Overview
1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one (CAS 858742-71-9), with molecular formula C30H31N3O3 and molecular weight 481.24 g/mol. IUPAC: 9-(4-methoxyphenyl)-5-(3-methylbutanoyl)-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-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one
Property Insights of 1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one
The XLogP value of 6.0369 indicates that 1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-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. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one. Following Lipinski's Rule of Five, 1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-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 5 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-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one?
The CAS number of 1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one is 858742-71-9.
What is the molecular formula of 1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one?
The molecular formula of 1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one is C30H31N3O3.
What is the molecular weight of 1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one?
The molecular weight of 1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one is 481.24 g/mol.
Where can I buy 1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-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-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-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-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-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-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-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.