![N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide structure](/static/products/6883/688340-10-5.webp)
N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
TL;DR: N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide (CAS 688340-10-5) is a chemical compound with molecular formula C18H19N3O2S2 and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide
Also Known As: N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide, N-[(4-methylphenyl)methyl]-4-{4-oxo-2-sulfanylidene-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide, N-[(4-methylphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide, 4-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(p-tolylmethyl)butanamide
| Molecular Formula | C18H19N3O2S2 |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 3.52561 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.09186 |
| Heavy Atoms | 25 |
| Complexity | 999.57336 |
Chemical Identifiers
| CAS Number | 688340-10-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S |
Product Overview
N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide (CAS 688340-10-5), with molecular formula C18H19N3O2S2 and molecular weight 373.09 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide.
Chemical Property Profile of N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
Property Insights of N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
The XLogP value of 3.52561 indicates that N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide. Following Lipinski's Rule of Five, N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide 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 N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide?
The CAS number of N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide is 688340-10-5.
What is the molecular formula of N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide?
The molecular formula of N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide is C18H19N3O2S2.
What is the molecular weight of N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide?
The molecular weight of N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide is 373.09 g/mol.
Where can I buy N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide?
You can request a quote for N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methylbenzyl)-4-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.