AB00086176-01
TL;DR: AB00086176-01 (CAS 150127-47-2) is a chemical compound with molecular formula C22H20N2O4 and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]benzoate
Also Known As: AB00086176-01, methyl 4-((1,4-dioxo-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalen-2-yl)amino)benzoate, methyl 4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]benzoate, methyl 4-{[1,4-dioxo-3-(pyrrolidin-1-yl)-1,4-dihydronaphthalen-2-yl]amino}benzoate
| Molecular Formula | C22H20N2O4 |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 3.2717 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.1423 |
| Heavy Atoms | 28 |
| Complexity | 985.85126 |
Chemical Identifiers
| CAS Number | 150127-47-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4 |
Product Overview
AB00086176-01 (CAS 150127-47-2), with molecular formula C22H20N2O4 and molecular weight 376.14 g/mol. IUPAC: methyl 4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]benzoate.
Chemical Property Profile of AB00086176-01
Property Insights of AB00086176-01
The XLogP value of 3.2717 indicates that AB00086176-01 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 AB00086176-01. Following Lipinski's Rule of Five, AB00086176-01 has 1 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 AB00086176-01?
The CAS number of AB00086176-01 is 150127-47-2.
What is the molecular formula of AB00086176-01?
The molecular formula of AB00086176-01 is C22H20N2O4.
What is the molecular weight of AB00086176-01?
The molecular weight of AB00086176-01 is 376.14 g/mol.
Where can I buy AB00086176-01?
You can request a quote for AB00086176-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00086176-01?
Yes, KEHONG BIO provides custom synthesis services for AB00086176-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.