![4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid structure](/static/products/6751/675142-70-8.webp)
4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid
TL;DR: 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid (CAS 675142-70-8) is a chemical compound with molecular formula C31H29FN2O6 and molecular weight 544.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[9-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
Also Known As: 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid, 4-[3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid, 4-(3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-1-hydroxy-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid, 4-[3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-1-oxo(2,3,4-trihydro-5H,11H-ben zo[b]benzo[2,1-f]1,4-diazepin-10-yl)]-4-oxobutanoic acid, 4-[3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
| Molecular Formula | C31H29FN2O6 |
|---|---|
| Molecular Weight | 544.20 g/mol |
| LogP | 5.6083 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 544.201 |
| Heavy Atoms | 40 |
| Complexity | 1499.9153 |
Chemical Identifiers
| CAS Number | 675142-70-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC=C(C=C5)F)C(=O)C2)OC |
Product Overview
4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid (CAS 675142-70-8), with molecular formula C31H29FN2O6 and molecular weight 544.20 g/mol. IUPAC: 4-[9-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid
Property Insights of 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid
The XLogP value of 5.6083 indicates that 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid. Following Lipinski's Rule of Five, 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid has 2 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 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid?
The CAS number of 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid is 675142-70-8.
What is the molecular formula of 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid?
The molecular formula of 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid is C31H29FN2O6.
What is the molecular weight of 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid?
The molecular weight of 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid is 544.20 g/mol.
Where can I buy 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid?
You can request a quote for 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(3,4-Dimethoxy-phenyl)-11-(4-fluoro-phenyl)-1-hydroxy-2,3,4,11-tetrahydro-dibenzo[b,e][1,4]diazep in-10-yl]-4-oxo-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.