Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-
TL;DR: Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- (CAS 123629-44-7) is a chemical compound with molecular formula C13H13BrN2OS and molecular weight 323.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
Also Known As: A1347/0060808, Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-, 1-[4-(4-BROMOPHENYL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL]ETHAN-1-ONE, 1-(4-(4-Bromophenyl)-6-methyl-2-thioxo-3,4-tetrahydropyrimidin-5-yl)ethanone (1b), 1-[4-(4-Bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinyl]ethanone
| Molecular Formula | C13H13BrN2OS |
|---|---|
| Molecular Weight | 323.99 g/mol |
| LogP | 2.8309 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.9932 |
| Heavy Atoms | 18 |
| Complexity | 536.4272 |
Chemical Identifiers
| CAS Number | 123629-44-7 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)Br)C(=O)C |
Product Overview
Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- (CAS 123629-44-7), with molecular formula C13H13BrN2OS and molecular weight 323.99 g/mol. IUPAC: 1-[4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone.
Chemical Property Profile of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-
Property Insights of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-
The XLogP value of 2.8309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-. With a topological polar surface area (TPSA) of 41.13 Ų, Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- has 2 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 Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-?
The CAS number of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- is 123629-44-7.
What is the molecular formula of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-?
The molecular formula of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- is C13H13BrN2OS.
What is the molecular weight of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-?
The molecular weight of Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- is 323.99 g/mol.
Where can I buy Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-?
You can request a quote for Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.