阿贝卡尔
TL;DR: 阿贝卡尔 (CAS 111841-85-1) is a chemical compound with molecular formula C24H24N2O4 and molecular weight 404.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿贝卡尔
propan-2-yl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: Abecarnil, Abecarnilum, abecarnilo, Abecarnil [INN], Abercanil
| Molecular Formula | C24H24N2O4 |
|---|---|
| Molecular Weight | 404.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.1736 |
| Heavy Atoms | 30 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 111841-85-1 |
|---|---|
| SMILES | CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4 |
| InChIKey | RLFKILXOLJVUNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿贝卡尔 (CAS 111841-85-1), with molecular formula C24H24N2O4 and molecular weight 404.17 g/mol. IUPAC: propan-2-yl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of 阿贝卡尔
Property Insights of 阿贝卡尔
The XLogP value of 4.4 indicates that 阿贝卡尔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿贝卡尔. Following Lipinski's Rule of Five, 阿贝卡尔 has 1 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 阿贝卡尔?
The CAS number of 阿贝卡尔 is 111841-85-1.
What is the molecular formula of 阿贝卡尔?
The molecular formula of 阿贝卡尔 is C24H24N2O4.
What is the molecular weight of 阿贝卡尔?
The molecular weight of 阿贝卡尔 is 404.17 g/mol.
Where can I buy 阿贝卡尔?
You can request a quote for 阿贝卡尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿贝卡尔?
Yes, KEHONG BIO provides custom synthesis services for 阿贝卡尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.