南天竹种碱
TL;DR: 南天竹种碱 (CAS 476-71-1) is a chemical compound with molecular formula C9H18O8S2 and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
南天竹种碱
[(4R,5S)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
Also Known As: KST-1A4971, [(4r,5s)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]dimethanediyl dimethanesulfonate, 2,3-O-Isopropyliden-D-threitol-1,4-bis-methansulfonat, [(4S,5R)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-1,3-dioxol, 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, dimethanesulfonate, (4R,5S)-rel- (9CI)
| Molecular Formula | C9H18O8S2 |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0443 |
| Heavy Atoms | 19 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 476-71-1 |
|---|---|
| SMILES | CC1(O[C@@H]([C@@H](O1)COS(=O)(=O)C)COS(=O)(=O)C)C |
| InChIKey | LIIWJXAZDNSJSP-OCAPTIKFSA-N |
Product Overview
南天竹种碱 (CAS 476-71-1), with molecular formula C9H18O8S2 and molecular weight 318.04 g/mol. IUPAC: [(4R,5S)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate.
Chemical Property Profile of 南天竹种碱
Property Insights of 南天竹种碱
The XLogP value of -0.6 indicates that 南天竹种碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 南天竹种碱. Following Lipinski's Rule of Five, 南天竹种碱 has 0 hydrogen bond donor(s) and 8 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 南天竹种碱?
The CAS number of 南天竹种碱 is 476-71-1.
What is the molecular formula of 南天竹种碱?
The molecular formula of 南天竹种碱 is C9H18O8S2.
What is the molecular weight of 南天竹种碱?
The molecular weight of 南天竹种碱 is 318.04 g/mol.
Where can I buy 南天竹种碱?
You can request a quote for 南天竹种碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 南天竹种碱?
Yes, KEHONG BIO provides custom synthesis services for 南天竹种碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.