1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
TL;DR: 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride (CAS 28485-14-5) is a chemical compound with molecular formula C8H11ClN2O4S and molecular weight 266.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-2,4-dioxopyrimidine-5-sulfonyl chloride
Also Known As: 1-butyl-2,4-dioxopyrimidine-5-sulfonyl chloride, 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride, 5-Pyrimidinesulfonylchloride, 1-butyl-1,2,3,4-tetrahydro-2,4-dioxo-
| Molecular Formula | C8H11ClN2O4S |
|---|---|
| Molecular Weight | 266.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.01282 |
| Heavy Atoms | 16 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 28485-14-5 |
|---|---|
| SMILES | CCCCN1C=C(C(=O)NC1=O)S(=O)(=O)Cl |
| InChIKey | VEEAVNBAIBTSRS-UHFFFAOYSA-N |
Product Overview
1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride (CAS 28485-14-5), with molecular formula C8H11ClN2O4S and molecular weight 266.01 g/mol. IUPAC: 1-butyl-2,4-dioxopyrimidine-5-sulfonyl chloride.
Chemical Property Profile of 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
Property Insights of 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride. Following Lipinski's Rule of Five, 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride has 1 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 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride?
The CAS number of 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride is 28485-14-5.
What is the molecular formula of 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride?
The molecular formula of 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride is C8H11ClN2O4S.
What is the molecular weight of 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride?
The molecular weight of 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride is 266.01 g/mol.
Where can I buy 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride?
You can request a quote for 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.