Sparsomysin
TL;DR: Sparsomysin (CAS 1404-64-4) is a chemical compound with molecular formula C13H19N3O5S2 and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
Also Known As: Sparsomysin, SPARSOMYCIN, SMP2_000117, (E)-N-[(2S)-1-hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide, N-[1-hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
| Molecular Formula | C13H19N3O5S2 |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.0766 |
| Heavy Atoms | 23 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 1404-64-4 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CSC |
| InChIKey | XKLZIVIOZDNKEQ-UHFFFAOYSA-N |
Product Overview
Sparsomysin (CAS 1404-64-4), with molecular formula C13H19N3O5S2 and molecular weight 361.08 g/mol. IUPAC: N-[1-hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide.
Chemical Property Profile of Sparsomysin
Property Insights of Sparsomysin
The XLogP value of -1.7 indicates that Sparsomysin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting Sparsomysin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sparsomysin has 4 hydrogen bond donor(s) and 7 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 Sparsomysin?
The CAS number of Sparsomysin is 1404-64-4.
What is the molecular formula of Sparsomysin?
The molecular formula of Sparsomysin is C13H19N3O5S2.
What is the molecular weight of Sparsomysin?
The molecular weight of Sparsomysin is 361.08 g/mol.
Where can I buy Sparsomysin?
You can request a quote for Sparsomysin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sparsomysin?
Yes, KEHONG BIO provides custom synthesis services for Sparsomysin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.