Isoreserpiline pseudoindoxyl
TL;DR: Isoreserpiline pseudoindoxyl (CAS 5802-11-9) is a chemical compound with molecular formula C23H28N2O6 and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,5aS,6S,10aS)-5',6'-dimethoxy-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate
Also Known As: isoreserpiline pseudoindoxyl, (2S,3S,15S,19S,20S)-isoreserpiline pseudoindoxyl, methyl (1S,4aS,5aS,6S,10aS)-5',6'-dimethoxy-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate, methyl rel-(1'R,2R,4a'R,5a'R,10a'R)-5,6-dimethoxy-1'-methyl-3-oxo-1,3,5',5a',7',8',10',10a'-octahydro-1'H,4a'H-spiro[indole-2,6'-pyrano[3,4-f]indolizine]-4'-carboxylate, spiro[2H-indole-2,6'(10'H)-[1H]pyrano[3,4-f]indolizine]-4'-carboxylic acid, 1,3,4'a,5',5'a,7',8',10'a-octahydro-5,6-dimethoxy-1'-methyl-3-oxo-, methyl ester, (1'S,2S,4a'S,5a'S,10a'S)-
| Molecular Formula | C23H28N2O6 |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.19473 |
| Heavy Atoms | 31 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 5802-11-9 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C(=O)C5=CC(=C(C=C5N4)OC)OC |
| InChIKey | BSQCYJALKUSFFD-GCIZAMGCSA-N |
Product Overview
Isoreserpiline pseudoindoxyl (CAS 5802-11-9), with molecular formula C23H28N2O6 and molecular weight 428.19 g/mol. IUPAC: methyl (1S,4aS,5aS,6S,10aS)-5',6'-dimethoxy-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate.
Chemical Property Profile of Isoreserpiline pseudoindoxyl
Property Insights of Isoreserpiline pseudoindoxyl
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoreserpiline pseudoindoxyl. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoreserpiline pseudoindoxyl. Following Lipinski's Rule of Five, Isoreserpiline pseudoindoxyl has 1 hydrogen bond donor(s) and 8 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 Isoreserpiline pseudoindoxyl?
The CAS number of Isoreserpiline pseudoindoxyl is 5802-11-9.
What is the molecular formula of Isoreserpiline pseudoindoxyl?
The molecular formula of Isoreserpiline pseudoindoxyl is C23H28N2O6.
What is the molecular weight of Isoreserpiline pseudoindoxyl?
The molecular weight of Isoreserpiline pseudoindoxyl is 428.19 g/mol.
Where can I buy Isoreserpiline pseudoindoxyl?
You can request a quote for Isoreserpiline pseudoindoxyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoreserpiline pseudoindoxyl?
Yes, KEHONG BIO provides custom synthesis services for Isoreserpiline pseudoindoxyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.