Aricine
TL;DR: Aricine (CAS 482-91-7) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15S,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
Also Known As: Aricine, Heterophylline, Cinchovatine, Aricin, Heterophyllin
| Molecular Formula | C22H26N2O4 |
|---|---|
| Molecular Weight | 382.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.18927 |
| Heavy Atoms | 28 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 482-91-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=C4C=C(C=C5)OC |
| InChIKey | DTDADHMBRZKXSC-GKASHWOUSA-N |
Product Overview
Aricine (CAS 482-91-7), with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol. IUPAC: methyl (1S,15S,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate.
Chemical Property Profile of Aricine
Property Insights of Aricine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aricine. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Aricine. Following Lipinski's Rule of Five, Aricine 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 Aricine?
The CAS number of Aricine is 482-91-7.
What is the molecular formula of Aricine?
The molecular formula of Aricine is C22H26N2O4.
What is the molecular weight of Aricine?
The molecular weight of Aricine is 382.19 g/mol.
Where can I buy Aricine?
You can request a quote for Aricine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aricine?
Yes, KEHONG BIO provides custom synthesis services for Aricine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.