Isoreserpinine
TL;DR: Isoreserpinine (CAS 4922-45-6) 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 (1R,15S,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: Heterophyllin, ISORESERPININE, 3-Isoreserpinine, 10-demethoxyreserpiline, (3beta,20alpha)-16,17-Didehydro-11-methoxy-19alpha-methyl-18-oxayohimban-16-carboxylic acid methyl ester
| 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 | 4922-45-6 |
|---|---|
| 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-NHMRUBIDSA-N |
Product Overview
Isoreserpinine (CAS 4922-45-6), with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol. IUPAC: methyl (1R,15S,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 Isoreserpinine
Property Insights of Isoreserpinine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoreserpinine. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoreserpinine. Following Lipinski's Rule of Five, Isoreserpinine 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 Isoreserpinine?
The CAS number of Isoreserpinine is 4922-45-6.
What is the molecular formula of Isoreserpinine?
The molecular formula of Isoreserpinine is C22H26N2O4.
What is the molecular weight of Isoreserpinine?
The molecular weight of Isoreserpinine is 382.19 g/mol.
Where can I buy Isoreserpinine?
You can request a quote for Isoreserpinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoreserpinine?
Yes, KEHONG BIO provides custom synthesis services for Isoreserpinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.