Anisotine
TL;DR: Anisotine (CAS 16688-19-0) is a chemical compound with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)benzoate
Also Known As: Anisotine, methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)benzoate, Methyl 2-(methylamino)-5-(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)benzoate, methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo(2,1-b)quinazolin-3-yl)benzoate, 2-Methylamino-5-(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-3-yl)benzoic acid methyl ester
| Molecular Formula | C20H19N3O3 |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.14264 |
| Heavy Atoms | 26 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 16688-19-0 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)C2CCN3C2=NC4=CC=CC=C4C3=O)C(=O)OC |
| InChIKey | FZKRWTVMKFSFSG-UHFFFAOYSA-N |
Product Overview
Anisotine (CAS 16688-19-0), with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol. IUPAC: methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)benzoate.
Chemical Property Profile of Anisotine
Property Insights of Anisotine
The XLogP value of 3.0 indicates that Anisotine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anisotine. Following Lipinski's Rule of Five, Anisotine 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 Anisotine?
The CAS number of Anisotine is 16688-19-0.
What is the molecular formula of Anisotine?
The molecular formula of Anisotine is C20H19N3O3.
What is the molecular weight of Anisotine?
The molecular weight of Anisotine is 349.14 g/mol.
Where can I buy Anisotine?
You can request a quote for Anisotine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anisotine?
Yes, KEHONG BIO provides custom synthesis services for Anisotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.