2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate
TL;DR: 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate (CAS 62414-75-9) is a chemical compound with molecular formula C12H15NO7S and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R,5S,6S)-4,5-diacetyloxy-6-isothiocyanatooxan-3-yl] acetate
Also Known As: AITC, 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate, [(3R,4R,5S,6S)-4,5-diacetyloxy-6-isothiocyanatooxan-3-yl] acetate, 2,3,4-Tri-O-acetyl-alpha-D-arabinopyranosyl isothiocyanate, 2,3,4-TRI-O-ACETYL-ALPHA-D-ARABINOPYRANOSYLISOTHIOCYANATE
| Molecular Formula | C12H15NO7S |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 0.2406 |
| Topological Polar Surface Area | 100.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.05692 |
| Heavy Atoms | 21 |
| Complexity | 474.2264 |
Chemical Identifiers
| CAS Number | 62414-75-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)N=C=S |
Product Overview
2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate (CAS 62414-75-9), with molecular formula C12H15NO7S and molecular weight 317.06 g/mol. IUPAC: [(3R,4R,5S,6S)-4,5-diacetyloxy-6-isothiocyanatooxan-3-yl] acetate.
Chemical Property Profile of 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate
Property Insights of 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate
The XLogP value of 0.2406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate. The TPSA of 100.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate. Following Lipinski's Rule of Five, 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate has 0 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 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate?
The CAS number of 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate is 62414-75-9.
What is the molecular formula of 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate?
The molecular formula of 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate is C12H15NO7S.
What is the molecular weight of 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate?
The molecular weight of 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate is 317.06 g/mol.
Where can I buy 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate?
You can request a quote for 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.