1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione
TL;DR: 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione (CAS 4020-19-3) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione
Also Known As: 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione, 1-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione, 1-(4-methyl-benzyl)-dihydro-pyrimidine-2,4-dione, 2,4(1H,3H)-pyrimidinedione, dihydro-1-[(4-methylphenyl)methyl]-
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.43692 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 411.53186 |
Chemical Identifiers
| CAS Number | 4020-19-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCC(=O)NC2=O |
Product Overview
1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione (CAS 4020-19-3), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 1-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione.
Chemical Property Profile of 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione
Property Insights of 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.43692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione has 1 hydrogen bond donor(s) and 2 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 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione?
The CAS number of 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione is 4020-19-3.
What is the molecular formula of 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione is C12H14N2O2.
What is the molecular weight of 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione is 218.11 g/mol.
Where can I buy 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylbenzyl)dihydropyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.