Quin2-acetoxymethyl ester
TL;DR: Quin2-acetoxymethyl ester (CAS 83104-85-2) is a chemical compound with molecular formula C38H43N3O18 and molecular weight 829.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[[8-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-6-methoxyquinolin-2-yl]methoxy]-4-methylanilino]acetate
Also Known As: Quin 2am, Quin-2AM, Quin2-acetoxymethyl ester, Quin-2 acetoxymethyl ester, Quin2-AM
| Molecular Formula | C38H43N3O18 |
|---|---|
| Molecular Weight | 829.25 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 30 |
| Exact Mass | 829.25415 |
| Heavy Atoms | 59 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 83104-85-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCC2=NC3=C(C=C(C=C3C=C2)OC)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C |
| InChIKey | ANRZUBSJAOAXHS-UHFFFAOYSA-N |
Product Overview
Quin2-acetoxymethyl ester (CAS 83104-85-2), with molecular formula C38H43N3O18 and molecular weight 829.25 g/mol. IUPAC: acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[[8-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-6-methoxyquinolin-2-yl]methoxy]-4-methylanilino]acetate.
Chemical Property Profile of Quin2-acetoxymethyl ester
Property Insights of Quin2-acetoxymethyl ester
The XLogP value of 3.9 indicates that Quin2-acetoxymethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 248.0 Ų indicates high polarity, suggesting Quin2-acetoxymethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quin2-acetoxymethyl ester has 0 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quin2-acetoxymethyl ester?
The CAS number of Quin2-acetoxymethyl ester is 83104-85-2.
What is the molecular formula of Quin2-acetoxymethyl ester?
The molecular formula of Quin2-acetoxymethyl ester is C38H43N3O18.
What is the molecular weight of Quin2-acetoxymethyl ester?
The molecular weight of Quin2-acetoxymethyl ester is 829.25 g/mol.
Where can I buy Quin2-acetoxymethyl ester?
You can request a quote for Quin2-acetoxymethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quin2-acetoxymethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Quin2-acetoxymethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.