5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione (CAS 67050-76-4) is a chemical compound with molecular formula C10H16N2O3S and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-5-methyl-2-sodiooxy-4,6 -pyrimidinedione, 5-(butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione, 5-[(butylsulfanyl)methyl]-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione
| Molecular Formula | C10H16N2O3S |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.08817 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 67050-76-4 |
|---|---|
| SMILES | CCCCSCC1(C(=O)NC(=O)NC1=O)C |
| InChIKey | SHJUSTOVABHKDZ-UHFFFAOYSA-N |
Product Overview
5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione (CAS 67050-76-4), with molecular formula C10H16N2O3S and molecular weight 244.09 g/mol. IUPAC: 5-(butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione 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 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione is 67050-76-4.
What is the molecular formula of 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione is C10H16N2O3S.
What is the molecular weight of 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione is 244.09 g/mol.
Where can I buy 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Butylsulfanylmethyl)-5-methyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.