1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose
TL;DR: 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose (CAS 5115-74-2) is a chemical compound with molecular formula C14H19NO6S and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-hydroxy-2-phenylethanimidothioate
Also Known As: Desulfoglucotropeolin, Desulfobenzylglucosinolate, DESULFOGLUCOTROPAEOLIN, 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose, [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-hydroxy-2-phenylethanimidothioate
| Molecular Formula | C14H19NO6S |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.09332 |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 5115-74-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=NO)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | QXWFHEDNDCNERW-LPUQOGTASA-N |
Product Overview
1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose (CAS 5115-74-2), with molecular formula C14H19NO6S and molecular weight 329.09 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-hydroxy-2-phenylethanimidothioate.
Chemical Property Profile of 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose
Property Insights of 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose. The TPSA of 148.0 Ų indicates high polarity, suggesting 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose has 5 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 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose?
The CAS number of 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose is 5115-74-2.
What is the molecular formula of 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose?
The molecular formula of 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose is C14H19NO6S.
What is the molecular weight of 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose?
The molecular weight of 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose is 329.09 g/mol.
Where can I buy 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose?
You can request a quote for 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose?
Yes, KEHONG BIO provides custom synthesis services for 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.