![3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid structure](/static/products/904/904007-41-6.png)
3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid
TL;DR: 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CAS 904007-41-6) is a chemical compound with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1-[2-(dimethylamino)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid, 3-benzyl-1-(2-dimethylaminoethyl)-5-methyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylic acid, 3-benzyl-1-[2-(dimethylamino)ethyl]-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C19H21N3O4S |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 1.84122 |
| Topological Polar Surface Area | 84.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.12527 |
| Heavy Atoms | 27 |
| Complexity | 1109.9156 |
Chemical Identifiers
| CAS Number | 904007-41-6 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=O)N2CCN(C)C)CC3=CC=CC=C3)C(=O)O |
Product Overview
3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid (CAS 904007-41-6), with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol. IUPAC: 3-benzyl-1-[2-(dimethylamino)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Property Insights of 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid
The XLogP value of 1.84122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid. The TPSA of 84.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid. Following Lipinski's Rule of Five, 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The CAS number of 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid is 904007-41-6.
What is the molecular formula of 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The molecular formula of 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid is C19H21N3O4S.
What is the molecular weight of 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
The molecular weight of 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid is 387.13 g/mol.
Where can I buy 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
You can request a quote for 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.