N-Formylanonaine
TL;DR: N-Formylanonaine (CAS 83459-45-4) is a chemical compound with molecular formula C18H15NO3 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carbaldehyde
Also Known As: N-Formylanonaine, (-)-N-Formylanonaine, J2.861.672D, 7H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline-7-carboxaldehyde,5,6,7a,8-tetrahydro-, (7aR)-, (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carbaldehyde
| Molecular Formula | C18H15NO3 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 293.1052 |
| Heavy Atoms | 22 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 83459-45-4 |
|---|---|
| SMILES | C1CN([C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5)C=O |
| InChIKey | UNKDZOMBELOPQZ-CQSZACIVSA-N |
Product Overview
N-Formylanonaine (CAS 83459-45-4), with molecular formula C18H15NO3 and molecular weight 293.11 g/mol. IUPAC: (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carbaldehyde.
Chemical Property Profile of N-Formylanonaine
Property Insights of N-Formylanonaine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Formylanonaine. With a topological polar surface area (TPSA) of 38.8 Ų, N-Formylanonaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Formylanonaine has 0 hydrogen bond donor(s) and 3 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 N-Formylanonaine?
The CAS number of N-Formylanonaine is 83459-45-4.
What is the molecular formula of N-Formylanonaine?
The molecular formula of N-Formylanonaine is C18H15NO3.
What is the molecular weight of N-Formylanonaine?
The molecular weight of N-Formylanonaine is 293.11 g/mol.
Where can I buy N-Formylanonaine?
You can request a quote for N-Formylanonaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Formylanonaine?
Yes, KEHONG BIO provides custom synthesis services for N-Formylanonaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.