AB00109324-01
TL;DR: AB00109324-01 (CAS 404585-13-3) is a chemical compound with molecular formula C21H19BrN2O4 and molecular weight 442.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-methylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
Also Known As: AB00109324-01, N-(4-bromo-2-methylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide, N-(4-bromo-2-methylphenyl)-1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
| Molecular Formula | C21H19BrN2O4 |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | 3.78482 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.05283 |
| Heavy Atoms | 28 |
| Complexity | 982.366 |
Chemical Identifiers
| CAS Number | 404585-13-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4 |
Product Overview
AB00109324-01 (CAS 404585-13-3), with molecular formula C21H19BrN2O4 and molecular weight 442.05 g/mol. IUPAC: N-(4-bromo-2-methylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide.
Chemical Property Profile of AB00109324-01
Property Insights of AB00109324-01
The XLogP value of 3.78482 indicates that AB00109324-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00109324-01. Following Lipinski's Rule of Five, AB00109324-01 has 1 hydrogen bond donor(s) and 4 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 AB00109324-01?
The CAS number of AB00109324-01 is 404585-13-3.
What is the molecular formula of AB00109324-01?
The molecular formula of AB00109324-01 is C21H19BrN2O4.
What is the molecular weight of AB00109324-01?
The molecular weight of AB00109324-01 is 442.05 g/mol.
Where can I buy AB00109324-01?
You can request a quote for AB00109324-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109324-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109324-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.