NCIOpen2_008804
TL;DR: NCIOpen2_008804 (CAS 6893-65-8) is a chemical compound with molecular formula C15H20O7S and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl 4-methylbenzenesulfonate
Also Known As: NCIOpen2_008804, KST-1B7592, 1,2-Isopropylidene-5-O-tosyl-D-xylofuranose, 1,2-O-(1-Methylethylidene)-5-O-[(4-methylphenyl)sulfonyl]pentofuranose, 1,2-O-Isopropylidene-5-O-p-toluenesulfonyl-a-D-xylofuranose
| Molecular Formula | C15H20O7S |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.093 |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 6893-65-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C3C(O2)OC(O3)(C)C)O |
| InChIKey | RMWKMMUSFZVFMX-UHFFFAOYSA-N |
Product Overview
NCIOpen2_008804 (CAS 6893-65-8), with molecular formula C15H20O7S and molecular weight 344.09 g/mol. IUPAC: (6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl 4-methylbenzenesulfonate.
Chemical Property Profile of NCIOpen2_008804
Property Insights of NCIOpen2_008804
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_008804. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_008804. Following Lipinski's Rule of Five, NCIOpen2_008804 has 1 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 NCIOpen2_008804?
The CAS number of NCIOpen2_008804 is 6893-65-8.
What is the molecular formula of NCIOpen2_008804?
The molecular formula of NCIOpen2_008804 is C15H20O7S.
What is the molecular weight of NCIOpen2_008804?
The molecular weight of NCIOpen2_008804 is 344.09 g/mol.
Where can I buy NCIOpen2_008804?
You can request a quote for NCIOpen2_008804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008804?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.