3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose
TL;DR: 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose (CAS 2592-47-4) is a chemical compound with molecular formula C16H20O7S and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 4-methylbenzenesulfonate
Also Known As: 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose, (4,4-Dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 4-methylbenzenesulfonate
| Molecular Formula | C16H20O7S |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.093 |
| Heavy Atoms | 24 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 2592-47-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2COC3C2OC4C3OC(O4)(C)C |
| InChIKey | DQNGKHMEUWAYEM-UHFFFAOYSA-N |
Product Overview
3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose (CAS 2592-47-4), with molecular formula C16H20O7S and molecular weight 356.09 g/mol. IUPAC: (4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose
Property Insights of 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose. Following Lipinski's Rule of Five, 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose has 0 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 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose?
The CAS number of 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose is 2592-47-4.
What is the molecular formula of 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose?
The molecular formula of 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose is C16H20O7S.
What is the molecular weight of 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose?
The molecular weight of 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose is 356.09 g/mol.
Where can I buy 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose?
You can request a quote for 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Anhydro-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.