Sparoxomycin A1
TL;DR: Sparoxomycin A1 (CAS 6299-01-0) is a chemical compound with molecular formula C13H19N3O6S2 and molecular weight 377.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[1-hydroxy-3-(methylsulfinylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
Also Known As: Sparoxomycin A1, Sparoxomycin A2, J3.113.321A, n-(1-hydroxy-3-{[(methylsulfinyl)methyl]sulfinyl}propan-2-yl)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enamide, 2-Propenamide,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (E)-(.+-.)-
| Molecular Formula | C13H19N3O6S2 |
|---|---|
| Molecular Weight | 377.07 g/mol |
| LogP | -2.05338 |
| Topological Polar Surface Area | 149.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.07153 |
| Heavy Atoms | 24 |
| Complexity | 782.6471 |
Chemical Identifiers
| CAS Number | 6299-01-0 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)NC(CO)CS(=O)CS(=O)C |
Product Overview
Sparoxomycin A1 (CAS 6299-01-0), with molecular formula C13H19N3O6S2 and molecular weight 377.07 g/mol. IUPAC: (E)-N-[1-hydroxy-3-(methylsulfinylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide.
Chemical Property Profile of Sparoxomycin A1
Property Insights of Sparoxomycin A1
The XLogP value of -2.05338 indicates that Sparoxomycin A1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.19 Ų indicates high polarity, suggesting Sparoxomycin A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sparoxomycin A1 has 4 hydrogen bond donor(s) and 6 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 Sparoxomycin A1?
The CAS number of Sparoxomycin A1 is 6299-01-0.
What is the molecular formula of Sparoxomycin A1?
The molecular formula of Sparoxomycin A1 is C13H19N3O6S2.
What is the molecular weight of Sparoxomycin A1?
The molecular weight of Sparoxomycin A1 is 377.07 g/mol.
Where can I buy Sparoxomycin A1?
You can request a quote for Sparoxomycin A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sparoxomycin A1?
Yes, KEHONG BIO provides custom synthesis services for Sparoxomycin A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.