Isocarapanaubine
TL;DR: Isocarapanaubine (CAS 17391-09-2) 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 5',6'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
Also Known As: Isocarapanaubine, Diethyl 2-(pyrrolidin-1-yl)ethylphosphonate, methyl 5',6'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate, Methyl 10,11-dimethoxy-19-methyl-2-oxoformosanan-16-carboxylate #, Formosanan-16-carboxylic acid,10,11-dimethoxy-19-methyl-2-oxo-,methyl ester
| Molecular Formula | C23H28N2O6 |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.19473 |
| Heavy Atoms | 31 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 17391-09-2 |
|---|---|
| SMILES | CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC(=C(C=C5NC4=O)OC)OC |
| InChIKey | QIZNWMMOECVGAP-UHFFFAOYSA-N |
Product Overview
Isocarapanaubine (CAS 17391-09-2), with molecular formula C23H28N2O6 and molecular weight 428.19 g/mol. IUPAC: methyl 5',6'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate.
Chemical Property Profile of Isocarapanaubine
Property Insights of Isocarapanaubine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocarapanaubine. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocarapanaubine. Following Lipinski's Rule of Five, Isocarapanaubine has 1 hydrogen bond donor(s) and 7 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 Isocarapanaubine?
The CAS number of Isocarapanaubine is 17391-09-2.
What is the molecular formula of Isocarapanaubine?
The molecular formula of Isocarapanaubine is C23H28N2O6.
What is the molecular weight of Isocarapanaubine?
The molecular weight of Isocarapanaubine is 428.19 g/mol.
Where can I buy Isocarapanaubine?
You can request a quote for Isocarapanaubine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocarapanaubine?
Yes, KEHONG BIO provides custom synthesis services for Isocarapanaubine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.