![4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid structure](/static/products/442/442570-57-2.png)
4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
TL;DR: 4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid (CAS 442570-57-2) is a chemical compound with molecular formula C29H26N2O6S and molecular weight 530.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(4-methoxycarbonylphenyl)-7-oxo-9-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
Also Known As: 4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid, 4-(11-(4-(methoxycarbonyl)phenyl)-1-oxo-3-(thiophen-2-yl)-3,4-dihydro-1H-dibenzo[b,e][1,4]diazepin-10(2H,5H,11H)-yl)-4-oxobutanoic acid, 4-[11-[4-(METHOXYCARBONYL)PHENYL]-1-OXO-3-(2-THIENYL)-1,2,3,4,5,11-HEXAHYDRO-10H-DIBENZO[B,E][1,4]DIAZEPIN-10-YL]-4-OXOBUTANOIC ACID, 4-[6-(4-methoxycarbonylphenyl)-7-oxo-9-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
| Molecular Formula | C29H26N2O6S |
|---|---|
| Molecular Weight | 530.15 g/mol |
| LogP | 5.3001 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.1512 |
| Heavy Atoms | 38 |
| Complexity | 1427.5098 |
Chemical Identifiers
| CAS Number | 442570-57-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=CC=CC=C5N2C(=O)CCC(=O)O |
Product Overview
4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid (CAS 442570-57-2), with molecular formula C29H26N2O6S and molecular weight 530.15 g/mol. IUPAC: 4-[6-(4-methoxycarbonylphenyl)-7-oxo-9-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Property Insights of 4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
The XLogP value of 5.3001 indicates that 4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-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 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-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-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-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 7 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-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-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-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is 442570-57-2.
What is the molecular formula of 4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-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-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is C29H26N2O6S.
What is the molecular weight of 4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-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-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is 530.15 g/mol.
Where can I buy 4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-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-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-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-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-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-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-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.