![3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5239/523992-76-9.webp)
3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-76-9) is a chemical compound with molecular formula C29H30N2O4S and molecular weight 502.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-5-(2-methylpropanoyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, AJ-292/41694799, 3-(3,4-dimethoxyphenyl)-10-(2-methylpropanoyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(3,4-dimethoxyphenyl)-5-(2-methylpropanoyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-methylpropan-1-one
| Molecular Formula | C29H30N2O4S |
|---|---|
| Molecular Weight | 502.19 g/mol |
| LogP | 6.3219 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.19263 |
| Heavy Atoms | 36 |
| Complexity | 1328.802 |
Chemical Identifiers
| CAS Number | 523992-76-9 |
|---|---|
| SMILES | CC(C)C(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=CS5 |
Product Overview
3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 523992-76-9), with molecular formula C29H30N2O4S and molecular weight 502.19 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-5-(2-methylpropanoyl)-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 6.3219 indicates that 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 523992-76-9.
What is the molecular formula of 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C29H30N2O4S.
What is the molecular weight of 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 502.19 g/mol.
Where can I buy 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenyl)-10-isobutyryl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.