beta-D-Lactopyranosylphenyl isothiocyanate
TL;DR: beta-D-Lactopyranosylphenyl isothiocyanate (CAS 96324-93-5) is a chemical compound with molecular formula C19H25NO11S and molecular weight 475.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: beta-D-Lactopyranosylphenyl isothiocyanate, -D-Lactopyranosylphenyl isothiocyanate, A-D-Lactopyranosylphenyl isothiocyanate, B-LACTOPYRANOSYL PHENYLISOTHIOCYANATE, 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C19H25NO11S |
|---|---|
| Molecular Weight | 475.11 g/mol |
| LogP | -2.5762 |
| Topological Polar Surface Area | 190.89 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.11484 |
| Heavy Atoms | 32 |
| Complexity | 787.9835 |
Chemical Identifiers
| CAS Number | 96324-93-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=S)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O |
Product Overview
beta-D-Lactopyranosylphenyl isothiocyanate (CAS 96324-93-5), with molecular formula C19H25NO11S and molecular weight 475.11 g/mol. IUPAC: 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of beta-D-Lactopyranosylphenyl isothiocyanate
Property Insights of beta-D-Lactopyranosylphenyl isothiocyanate
The XLogP value of -2.5762 indicates that beta-D-Lactopyranosylphenyl isothiocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.89 Ų indicates high polarity, suggesting beta-D-Lactopyranosylphenyl isothiocyanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Lactopyranosylphenyl isothiocyanate has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-D-Lactopyranosylphenyl isothiocyanate?
The CAS number of beta-D-Lactopyranosylphenyl isothiocyanate is 96324-93-5.
What is the molecular formula of beta-D-Lactopyranosylphenyl isothiocyanate?
The molecular formula of beta-D-Lactopyranosylphenyl isothiocyanate is C19H25NO11S.
What is the molecular weight of beta-D-Lactopyranosylphenyl isothiocyanate?
The molecular weight of beta-D-Lactopyranosylphenyl isothiocyanate is 475.11 g/mol.
Where can I buy beta-D-Lactopyranosylphenyl isothiocyanate?
You can request a quote for beta-D-Lactopyranosylphenyl 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-Lactopyranosylphenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Lactopyranosylphenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.