5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione
TL;DR: 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione (CAS 4897-44-3) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 5-[[(phenylmethyl)thio]methyl]-, 5-[(Benzylsulfanyl)methyl]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 4897-44-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=CNC(=O)NC2=O |
| InChIKey | ZNOAZUCLPNQDCE-UHFFFAOYSA-N |
Product Overview
5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione (CAS 4897-44-3), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione
Property Insights of 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione has 2 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 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
The CAS number of 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione is 4897-44-3.
What is the molecular formula of 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
The molecular formula of 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione is C12H12N2O2S.
What is the molecular weight of 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
The molecular weight of 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione is 248.06 g/mol.
Where can I buy 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
You can request a quote for 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylsulfanylmethyl)-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.