1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 340216-43-5) is a chemical compound with molecular formula C10H6Cl2N2O2S and molecular weight 287.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, BIM-0014146.P001, 1-(3,4-dichlorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione, 1-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(3,4-dichlorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C10H6Cl2N2O2S |
|---|---|
| Molecular Weight | 287.95 g/mol |
| LogP | 2.1312 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.9527 |
| Heavy Atoms | 17 |
| Complexity | 513.03723 |
Chemical Identifiers
| CAS Number | 340216-43-5 |
|---|---|
| SMILES | C1C(=O)NC(=S)N(C1=O)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 340216-43-5), with molecular formula C10H6Cl2N2O2S and molecular weight 287.95 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.1312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 3 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-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 340216-43-5.
What is the molecular formula of 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C10H6Cl2N2O2S.
What is the molecular weight of 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 287.95 g/mol.
Where can I buy 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.