Acrophylline
TL;DR: Acrophylline (CAS 18904-40-0) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4-one
Also Known As: Acrophylline, 7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4-one, NCI60_000495, Furo[2, 7-methoxy-9-(3-methyl-2-butenyl)-, 7-Methoxy-9-(3-methyl-2-butenyl)furo(2,3-b)quinolin-4(9H)-one
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 18904-40-0 |
|---|---|
| SMILES | CC(=CCN1C2=C(C=CC(=C2)OC)C(=O)C3=C1OC=C3)C |
| InChIKey | GARIOWCJZYSSOE-UHFFFAOYSA-N |
Product Overview
Acrophylline (CAS 18904-40-0), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: 7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4-one.
Chemical Property Profile of Acrophylline
Property Insights of Acrophylline
The XLogP value of 4.0 indicates that Acrophylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, Acrophylline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrophylline has 0 hydrogen bond donor(s) and 4 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 Acrophylline?
The CAS number of Acrophylline is 18904-40-0.
What is the molecular formula of Acrophylline?
The molecular formula of Acrophylline is C17H17NO3.
What is the molecular weight of Acrophylline?
The molecular weight of Acrophylline is 283.12 g/mol.
Where can I buy Acrophylline?
You can request a quote for Acrophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrophylline?
Yes, KEHONG BIO provides custom synthesis services for Acrophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.