AB00684119-01
TL;DR: AB00684119-01 (CAS 392236-17-8) is a chemical compound with molecular formula C20H20ClN5O3 and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butan-2-ylamino)-3-[(2-chloro-4-nitrophenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
Also Known As: AB00684119-01, F0287-0032, (E)-2-(sec-butylamino)-3-(((2-chloro-4-nitrophenyl)imino)methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, 2-[(butan-2-yl)amino]-3-[(1E)-[(2-chloro-4-nitrophenyl)imino]methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, (3E)-2-butan-2-ylimino-3-[(2-chloro-4-nitroanilino)methylidene]-9-methylpyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C20H20ClN5O3 |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 4.52552 |
| Topological Polar Surface Area | 101.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.12546 |
| Heavy Atoms | 29 |
| Complexity | 1172.7258 |
Chemical Identifiers
| CAS Number | 392236-17-8 |
|---|---|
| SMILES | CCC(C)NC1=C(C(=O)N2C=CC=C(C2=N1)C)C=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
AB00684119-01 (CAS 392236-17-8), with molecular formula C20H20ClN5O3 and molecular weight 413.13 g/mol. IUPAC: 2-(butan-2-ylamino)-3-[(2-chloro-4-nitrophenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
Chemical Property Profile of AB00684119-01
Property Insights of AB00684119-01
The XLogP value of 4.52552 indicates that AB00684119-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684119-01. Following Lipinski's Rule of Five, AB00684119-01 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 AB00684119-01?
The CAS number of AB00684119-01 is 392236-17-8.
What is the molecular formula of AB00684119-01?
The molecular formula of AB00684119-01 is C20H20ClN5O3.
What is the molecular weight of AB00684119-01?
The molecular weight of AB00684119-01 is 413.13 g/mol.
Where can I buy AB00684119-01?
You can request a quote for AB00684119-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684119-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684119-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.