![3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid structure](/static/products/6777/677764-91-9.webp)
3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid
TL;DR: 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid (CAS 677764-91-9) is a chemical compound with molecular formula C21H13Cl2N3O4S and molecular weight 473.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[1-(3,4-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid
Also Known As: 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid, 2-[3-[[1-(3,4-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid
| Molecular Formula | C21H13Cl2N3O4S |
|---|---|
| Molecular Weight | 473.00 g/mol |
| LogP | 3.864 |
| Topological Polar Surface Area | 91.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.0004 |
| Heavy Atoms | 31 |
| Complexity | 1315.1971 |
Chemical Identifiers
| CAS Number | 677764-91-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid (CAS 677764-91-9), with molecular formula C21H13Cl2N3O4S and molecular weight 473.00 g/mol. IUPAC: 2-[3-[[1-(3,4-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid.
Chemical Property Profile of 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid
Property Insights of 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid
The XLogP value of 3.864 indicates that 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid. Following Lipinski's Rule of Five, 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid?
The CAS number of 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid is 677764-91-9.
What is the molecular formula of 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid?
The molecular formula of 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid is C21H13Cl2N3O4S.
What is the molecular weight of 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid?
The molecular weight of 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid is 473.00 g/mol.
Where can I buy 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid?
You can request a quote for 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[1-(3,4-Dichlorophenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-1H-indole-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.