AB00686494-01
TL;DR: AB00686494-01 (CAS 868213-55-2) is a chemical compound with molecular formula C21H19NO6 and molecular weight 381.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)-2-oxoethyl] 2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: AB00686494-01, F1773-0061, 2-(4-methylphenyl)-2-oxoethyl 2-(2-methoxyethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate, 2-oxo-2-(p-tolyl)ethyl 2-(2-methoxyethyl)-1,3-dioxoisoindoline-5-carboxylate, [2-(4-methylphenyl)-2-oxoethyl] 2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxylate
| Molecular Formula | C21H19NO6 |
|---|---|
| Molecular Weight | 381.12 g/mol |
| LogP | 2.27712 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.12125 |
| Heavy Atoms | 28 |
| Complexity | 947.8682 |
Chemical Identifiers
| CAS Number | 868213-55-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCOC |
Product Overview
AB00686494-01 (CAS 868213-55-2), with molecular formula C21H19NO6 and molecular weight 381.12 g/mol. IUPAC: [2-(4-methylphenyl)-2-oxoethyl] 2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of AB00686494-01
Property Insights of AB00686494-01
The XLogP value of 2.27712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686494-01. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686494-01. Following Lipinski's Rule of Five, AB00686494-01 has 0 hydrogen bond donor(s) and 6 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 AB00686494-01?
The CAS number of AB00686494-01 is 868213-55-2.
What is the molecular formula of AB00686494-01?
The molecular formula of AB00686494-01 is C21H19NO6.
What is the molecular weight of AB00686494-01?
The molecular weight of AB00686494-01 is 381.12 g/mol.
Where can I buy AB00686494-01?
You can request a quote for AB00686494-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686494-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686494-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.