![4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid structure](/static/products/6751/675151-98-1.webp)
4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
TL;DR: 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid (CAS 675151-98-1) is a chemical compound with molecular formula C29H27N3O4 and molecular weight 481.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[9-(4-methylphenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
Also Known As: 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid, 4-(1-hydroxy-11-(pyridin-3-yl)-3-(p-tolyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid, 4-[3-(4-methylphenyl)-1-oxo-11-(3-pyridyl)(2,3,4-trihydro-5H,11H-benzo[b]benzo [2,1-f]1,4-diazepin-10-yl)]-4-oxobutanoic acid, 4-[9-(4-methylphenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
| Molecular Formula | C29H27N3O4 |
|---|---|
| Molecular Weight | 481.20 g/mol |
| LogP | 5.15542 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.20016 |
| Heavy Atoms | 36 |
| Complexity | 1348.4469 |
Chemical Identifiers
| CAS Number | 675151-98-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CN=CC=C5)C(=O)C2 |
Product Overview
4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid (CAS 675151-98-1), with molecular formula C29H27N3O4 and molecular weight 481.20 g/mol. IUPAC: 4-[9-(4-methylphenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Property Insights of 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
The XLogP value of 5.15542 indicates that 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid 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 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid?
The CAS number of 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid is 675151-98-1.
What is the molecular formula of 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid?
The molecular formula of 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid is C29H27N3O4.
What is the molecular weight of 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid?
The molecular weight of 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid is 481.20 g/mol.
Where can I buy 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid?
You can request a quote for 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-hydroxy-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.