Aniflorine
TL;DR: Aniflorine (CAS 29048-81-5) is a chemical compound with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-[2-(dimethylamino)phenyl]-3-hydroxy-5-methoxy-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
Also Known As: Aniflorine, (3R)-3-[2-(dimethylamino)phenyl]-3-hydroxy-5-methoxy-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one, (3R)-3-[2-(Dimethylamino)phenyl]-3-hydroxy-5-methoxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
| Molecular Formula | C20H21N3O3 |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1583 |
| Heavy Atoms | 26 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 29048-81-5 |
|---|---|
| SMILES | CN(C)C1=CC=CC=C1[C@@]2(CCN3C2=NC4=C(C3=O)C=CC=C4OC)O |
| InChIKey | HSGFCNFPJXZBFJ-HXUWFJFHSA-N |
Product Overview
Aniflorine (CAS 29048-81-5), with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol. IUPAC: (3R)-3-[2-(dimethylamino)phenyl]-3-hydroxy-5-methoxy-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.
Chemical Property Profile of Aniflorine
Property Insights of Aniflorine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aniflorine. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Aniflorine. Following Lipinski's Rule of Five, Aniflorine 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 Aniflorine?
The CAS number of Aniflorine is 29048-81-5.
What is the molecular formula of Aniflorine?
The molecular formula of Aniflorine is C20H21N3O3.
What is the molecular weight of Aniflorine?
The molecular weight of Aniflorine is 351.16 g/mol.
Where can I buy Aniflorine?
You can request a quote for Aniflorine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniflorine?
Yes, KEHONG BIO provides custom synthesis services for Aniflorine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.