RefChem:373383
TL;DR: RefChem:373383 (CAS 79708-72-8) is a chemical compound with molecular formula C24H28BrNO5 and molecular weight 489.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1,3-dioxolan-2-ylmethyl)-1-methylpiperidin-1-ium-4-yl] 9H-xanthene-9-carboxylate bromide
Also Known As: trans-1-(1,3-Dioxolan-2-ylmethyl)-1-methyl-4-(xanthene-9-carbonyloxy)piperidinium bromide, Piperidinium, 1-(1,3-dioxolan-2-ylmethyl)-1-methyl-4-((9H-xanthen-9-ylcarbonyl)oxy)-, bromide, trans-, [1- -1-methyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl]9H-xanthene-9-carboxylatebromide, [1-(1,3-dioxolan-2-ylmethyl)-1-methylpiperidin-1-ium-4-yl] 9H-xanthene-9-carboxylate bromide, [1-(1,3-dioxolan-2-ylmethyl)-1-methylpiperidin-1-ium-4-yl] 9H-xanthene-9-carboxylate,bromide
| Molecular Formula | C24H28BrNO5 |
|---|---|
| Molecular Weight | 489.12 g/mol |
| LogP | 0.4533 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.11508 |
| Heavy Atoms | 31 |
| Complexity | 876.1906 |
Chemical Identifiers
| CAS Number | 79708-72-8 |
|---|---|
| SMILES | C[N+]1(CCC(CC1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5OCCO5.[Br-] |
Product Overview
RefChem:373383 (CAS 79708-72-8), with molecular formula C24H28BrNO5 and molecular weight 489.12 g/mol. IUPAC: [1-(1,3-dioxolan-2-ylmethyl)-1-methylpiperidin-1-ium-4-yl] 9H-xanthene-9-carboxylate bromide.
Chemical Property Profile of RefChem:373383
Property Insights of RefChem:373383
The XLogP value of 0.4533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:373383. With a topological polar surface area (TPSA) of 53.99 Ų, RefChem:373383 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:373383 has 0 hydrogen bond donor(s) and 5 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 RefChem:373383?
The CAS number of RefChem:373383 is 79708-72-8.
What is the molecular formula of RefChem:373383?
The molecular formula of RefChem:373383 is C24H28BrNO5.
What is the molecular weight of RefChem:373383?
The molecular weight of RefChem:373383 is 489.12 g/mol.
Where can I buy RefChem:373383?
You can request a quote for RefChem:373383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:373383?
Yes, KEHONG BIO provides custom synthesis services for RefChem:373383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.