Herbaline
TL;DR: Herbaline (CAS 11027-83-1) is a chemical compound with molecular formula C23H30N2O6 and molecular weight 430.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
Also Known As: Herbaline, Alkaloid V, Spiro(3H-indole-3,6'(3'H)-(1H)pyrano(3,4-f)indolizine)-4'-carboxylic acid, 1,2,4',4'a,5',5'a,7',8',10',10'a-decahydro-5,6-dimethoxy-1'-methyl-2-oxo-, methyl ester, (1'S-(1'alpha,4'beta,4'aalpha,5'aalpha,6'alpha,10'aalpha))-, Formosan-16-carboxylic acid, 16,17-dihydro-10,11-dimethoxy-19-methyl-2-oxo-, methyl ester, (7alpha,16beta,19alpha)-, Formosanan-16-carboxylic acid, 16,17-dihydro-10,11-dimethoxy-19-methyl-2-oxo-, methyl ester, (7.alpha.,16.beta.,19.alpha.)-
| Molecular Formula | C23H30N2O6 |
|---|---|
| Molecular Weight | 430.21 g/mol |
| LogP | 1.812 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.2104 |
| Heavy Atoms | 31 |
| Complexity | 919.57294 |
Chemical Identifiers
| CAS Number | 11027-83-1 |
|---|---|
| SMILES | CC1C2CN3CCC4(C3CC2[C@H](CO1)C(=O)OC)C5=CC(=C(C=C5NC4=O)OC)OC |
Product Overview
Herbaline (CAS 11027-83-1), with molecular formula C23H30N2O6 and molecular weight 430.21 g/mol. IUPAC: methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate.
Chemical Property Profile of Herbaline
Property Insights of Herbaline
The XLogP value of 1.812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Herbaline. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Herbaline. Following Lipinski's Rule of Five, Herbaline 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 Herbaline?
The CAS number of Herbaline is 11027-83-1.
What is the molecular formula of Herbaline?
The molecular formula of Herbaline is C23H30N2O6.
What is the molecular weight of Herbaline?
The molecular weight of Herbaline is 430.21 g/mol.
Where can I buy Herbaline?
You can request a quote for Herbaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Herbaline?
Yes, KEHONG BIO provides custom synthesis services for Herbaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.