6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1)
TL;DR: 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1) (CAS 893-91-4) is a chemical compound with molecular formula C23H31NO8S and molecular weight 481.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol;4-methylbenzenesulfonic acid
Also Known As: 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1), 2-amino-1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol; 4-methylbenzenesulfonic acid, 2-Amino-1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol;4-methylbenzenesulfonic acid, 4-Methylbenzene-1-sulfonic acid--6-amino-3-O-benzyl-6-deoxy-1,2-O-(1-methylethylidene)hexofuranose (1/1)
| Molecular Formula | C23H31NO8S |
|---|---|
| Molecular Weight | 481.18 g/mol |
| LogP | 2.00952 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.17703 |
| Heavy Atoms | 33 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 893-91-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1(OC2C(C(OC2O1)C(CN)O)OCC3=CC=CC=C3)C |
| InChIKey | MJRFYLYQTRPVJR-UHFFFAOYSA-N |
Product Overview
6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1) (CAS 893-91-4), with molecular formula C23H31NO8S and molecular weight 481.18 g/mol. IUPAC: 2-amino-1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol;4-methylbenzenesulfonic acid.
Chemical Property Profile of 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1)
Property Insights of 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1)
The XLogP value of 2.00952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1). The TPSA of 146.0 Ų indicates high polarity, suggesting 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1) has 3 hydrogen bond donor(s) and 9 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 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1)?
The CAS number of 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1) is 893-91-4.
What is the molecular formula of 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1)?
The molecular formula of 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1) is C23H31NO8S.
What is the molecular weight of 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1)?
The molecular weight of 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1) is 481.18 g/mol.
Where can I buy 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1)?
You can request a quote for 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.