beta-D-Glucopyranoside, 8-nitro-1-pyrenyl
TL;DR: beta-D-Glucopyranoside, 8-nitro-1-pyrenyl (CAS 98896-91-4) is a chemical compound with molecular formula C22H19NO8 and molecular weight 425.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-nitropyren-1-yl)oxyoxane-3,4,5-triol
Also Known As: 8-Nitropyren-1-yl hexopyranoside, beta-D-Glucopyranoside, 8-nitro-1-pyrenyl, 8-Nitropyren-1-yl beta-D-glucopyranoside, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-nitropyren-1-yl)oxyoxane-3,4,5-triol
| Molecular Formula | C22H19NO8 |
|---|---|
| Molecular Weight | 425.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.11105 |
| Heavy Atoms | 31 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 98896-91-4 |
|---|---|
| SMILES | C1=CC2=C3C(=C(C=C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=CC5=C(C=CC1=C53)[N+](=O)[O-] |
| InChIKey | XMDWLTUIZPABNP-RECXWPGBSA-N |
Product Overview
beta-D-Glucopyranoside, 8-nitro-1-pyrenyl (CAS 98896-91-4), with molecular formula C22H19NO8 and molecular weight 425.11 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-nitropyren-1-yl)oxyoxane-3,4,5-triol.
Chemical Property Profile of beta-D-Glucopyranoside, 8-nitro-1-pyrenyl
Property Insights of beta-D-Glucopyranoside, 8-nitro-1-pyrenyl
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranoside, 8-nitro-1-pyrenyl. The TPSA of 145.0 Ų indicates high polarity, suggesting beta-D-Glucopyranoside, 8-nitro-1-pyrenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranoside, 8-nitro-1-pyrenyl 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-Glucopyranoside, 8-nitro-1-pyrenyl?
The CAS number of beta-D-Glucopyranoside, 8-nitro-1-pyrenyl is 98896-91-4.
What is the molecular formula of beta-D-Glucopyranoside, 8-nitro-1-pyrenyl?
The molecular formula of beta-D-Glucopyranoside, 8-nitro-1-pyrenyl is C22H19NO8.
What is the molecular weight of beta-D-Glucopyranoside, 8-nitro-1-pyrenyl?
The molecular weight of beta-D-Glucopyranoside, 8-nitro-1-pyrenyl is 425.11 g/mol.
Where can I buy beta-D-Glucopyranoside, 8-nitro-1-pyrenyl?
You can request a quote for beta-D-Glucopyranoside, 8-nitro-1-pyrenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranoside, 8-nitro-1-pyrenyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranoside, 8-nitro-1-pyrenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.