beta-D-Galactopyranosylphenyl isothiocyanate
TL;DR: beta-D-Galactopyranosylphenyl isothiocyanate (CAS 20581-41-3) is a chemical compound with molecular formula C13H15NO6S and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxane-3,4,5-triol
Also Known As: beta-D-Galactopyranosylphenyl isothiocyanate, alpha-D-Mannopyranosylphenyl isothiocyanate, 4-Isothiocyanatophenyl hexopyranoside, -D-Mannopyranosylphenyl isothiocyanate, A-D-Galactopyranosylphenyl isothiocyanate
| Molecular Formula | C13H15NO6S |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | -0.4004 |
| Topological Polar Surface Area | 111.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.062 |
| Heavy Atoms | 21 |
| Complexity | 515.8977 |
Chemical Identifiers
| CAS Number | 20581-41-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=S)OC2C(C(C(C(O2)CO)O)O)O |
Product Overview
beta-D-Galactopyranosylphenyl isothiocyanate (CAS 20581-41-3), with molecular formula C13H15NO6S and molecular weight 313.06 g/mol. IUPAC: 2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxane-3,4,5-triol.
Chemical Property Profile of beta-D-Galactopyranosylphenyl isothiocyanate
Property Insights of beta-D-Galactopyranosylphenyl isothiocyanate
The XLogP value of -0.4004 indicates that beta-D-Galactopyranosylphenyl isothiocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.74 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-D-Galactopyranosylphenyl isothiocyanate. Following Lipinski's Rule of Five, beta-D-Galactopyranosylphenyl isothiocyanate has 4 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 beta-D-Galactopyranosylphenyl isothiocyanate?
The CAS number of beta-D-Galactopyranosylphenyl isothiocyanate is 20581-41-3.
What is the molecular formula of beta-D-Galactopyranosylphenyl isothiocyanate?
The molecular formula of beta-D-Galactopyranosylphenyl isothiocyanate is C13H15NO6S.
What is the molecular weight of beta-D-Galactopyranosylphenyl isothiocyanate?
The molecular weight of beta-D-Galactopyranosylphenyl isothiocyanate is 313.06 g/mol.
Where can I buy beta-D-Galactopyranosylphenyl isothiocyanate?
You can request a quote for beta-D-Galactopyranosylphenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Galactopyranosylphenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Galactopyranosylphenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.