AB00680538-01
TL;DR: AB00680538-01 (CAS 898435-33-1) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide
Also Known As: AB00680538-01, F2664-0055, 3-(4-methoxyphenyl)-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)propanamide, 3-(4-methoxyphenyl)-N-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}propanamide, 3-(4-methoxyphenyl)-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 3.1018 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 858.30505 |
Chemical Identifiers
| CAS Number | 898435-33-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCC(=O)NC2=CC3=C4C(=C2)CCN4C(=O)CC3 |
Product Overview
AB00680538-01 (CAS 898435-33-1), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: 3-(4-methoxyphenyl)-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide.
Chemical Property Profile of AB00680538-01
Property Insights of AB00680538-01
The XLogP value of 3.1018 indicates that AB00680538-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, AB00680538-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00680538-01 has 1 hydrogen bond donor(s) and 3 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 AB00680538-01?
The CAS number of AB00680538-01 is 898435-33-1.
What is the molecular formula of AB00680538-01?
The molecular formula of AB00680538-01 is C21H22N2O3.
What is the molecular weight of AB00680538-01?
The molecular weight of AB00680538-01 is 350.16 g/mol.
Where can I buy AB00680538-01?
You can request a quote for AB00680538-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680538-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680538-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.