Dehydroxysparsomycin
TL;DR: Dehydroxysparsomycin (CAS 113597-70-9) is a chemical compound with molecular formula C13H19N3O4S2 and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-1-(methylsulfanylmethylsulfinyl)propan-2-yl]prop-2-enamide
Also Known As: Dehydroxysparsomycin, Deshydroxysparsomycin, (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-1-(methylsulfanylmethylsulfinyl)propan-2-yl]prop-2-enamide, (2E)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-[(2S)-1-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enamide, (E)-N-[(S)-1-Methyl-2-(methylthiomethylsulfinyl)ethyl]-3-[(1,2,3,4-tetrahydro-2,4-dioxo-6-methylpyrimidin)-5-yl]propenamide
| Molecular Formula | C13H19N3O4S2 |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | -0.04128 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.0817 |
| Heavy Atoms | 22 |
| Complexity | 693.261 |
Chemical Identifiers
| CAS Number | 113597-70-9 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](C)CS(=O)CSC |
Product Overview
Dehydroxysparsomycin (CAS 113597-70-9), with molecular formula C13H19N3O4S2 and molecular weight 345.08 g/mol. IUPAC: (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-1-(methylsulfanylmethylsulfinyl)propan-2-yl]prop-2-enamide.
Chemical Property Profile of Dehydroxysparsomycin
Property Insights of Dehydroxysparsomycin
The XLogP value of -0.04128 indicates that Dehydroxysparsomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroxysparsomycin. Following Lipinski's Rule of Five, Dehydroxysparsomycin has 3 hydrogen bond donor(s) and 5 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 Dehydroxysparsomycin?
The CAS number of Dehydroxysparsomycin is 113597-70-9.
What is the molecular formula of Dehydroxysparsomycin?
The molecular formula of Dehydroxysparsomycin is C13H19N3O4S2.
What is the molecular weight of Dehydroxysparsomycin?
The molecular weight of Dehydroxysparsomycin is 345.08 g/mol.
Where can I buy Dehydroxysparsomycin?
You can request a quote for Dehydroxysparsomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroxysparsomycin?
Yes, KEHONG BIO provides custom synthesis services for Dehydroxysparsomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.