Tetraphylline
TL;DR: Tetraphylline (CAS 5443-46-9) 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,15R,16S,20S)-6-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: Tetraphylline, tetraphyllin, Heterophyllin, Reserpinine, 11-Methoxyajmalicine
| 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 | 5443-46-9 |
|---|---|
| SMILES | C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=C4C=CC(=C5)OC |
| InChIKey | KXEMQEGRZWUKJS-QIYNHLNTSA-N |
Product Overview
Tetraphylline (CAS 5443-46-9), with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol. IUPAC: methyl (1S,15R,16S,20S)-6-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 Tetraphylline
Property Insights of Tetraphylline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetraphylline. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetraphylline. Following Lipinski's Rule of Five, Tetraphylline 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 Tetraphylline?
The CAS number of Tetraphylline is 5443-46-9.
What is the molecular formula of Tetraphylline?
The molecular formula of Tetraphylline is C22H26N2O4.
What is the molecular weight of Tetraphylline?
The molecular weight of Tetraphylline is 382.19 g/mol.
Where can I buy Tetraphylline?
You can request a quote for Tetraphylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraphylline?
Yes, KEHONG BIO provides custom synthesis services for Tetraphylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.