AB00122156-01
TL;DR: AB00122156-01 (CAS 433241-23-7) is a chemical compound with molecular formula C18H22BrNO5 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-bromo-4,5-diethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: AB00122156-01, methyl 4-(3-bromo-4,5-diethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, A3016/0127110, methyl 4-(3-bromo-4,5-diethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
| Molecular Formula | C18H22BrNO5 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 3.297 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.06815 |
| Heavy Atoms | 25 |
| Complexity | 713.66315 |
Chemical Identifiers
| CAS Number | 433241-23-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C(=O)OC)C)Br)OCC |
Product Overview
AB00122156-01 (CAS 433241-23-7), with molecular formula C18H22BrNO5 and molecular weight 411.07 g/mol. IUPAC: methyl 4-(3-bromo-4,5-diethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of AB00122156-01
Property Insights of AB00122156-01
The XLogP value of 3.297 indicates that AB00122156-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122156-01. Following Lipinski's Rule of Five, AB00122156-01 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 AB00122156-01?
The CAS number of AB00122156-01 is 433241-23-7.
What is the molecular formula of AB00122156-01?
The molecular formula of AB00122156-01 is C18H22BrNO5.
What is the molecular weight of AB00122156-01?
The molecular weight of AB00122156-01 is 411.07 g/mol.
Where can I buy AB00122156-01?
You can request a quote for AB00122156-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122156-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122156-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.