Coromandaline
TL;DR: Coromandaline (CAS 68473-86-9) is a chemical compound with molecular formula C15H27NO4 and molecular weight 285.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
Also Known As: Coromandaline, Coromandeline, Glyfoline, [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate, Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((1R,7aS)-hexahydro-1H-pyrrolizin-1-yl)methyl ester, (2R,3R)-
| Molecular Formula | C15H27NO4 |
|---|---|
| Molecular Weight | 285.19 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.194 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 68473-86-9 |
|---|---|
| SMILES | C[C@H]([C@](C(C)C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O)O |
| InChIKey | BWQSLRZZOVFVHJ-UKTARXLSSA-N |
Product Overview
Coromandaline (CAS 68473-86-9), with molecular formula C15H27NO4 and molecular weight 285.19 g/mol. IUPAC: [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate.
Chemical Property Profile of Coromandaline
Property Insights of Coromandaline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coromandaline. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Coromandaline. Following Lipinski's Rule of Five, Coromandaline has 2 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 Coromandaline?
The CAS number of Coromandaline is 68473-86-9.
What is the molecular formula of Coromandaline?
The molecular formula of Coromandaline is C15H27NO4.
What is the molecular weight of Coromandaline?
The molecular weight of Coromandaline is 285.19 g/mol.
Where can I buy Coromandaline?
You can request a quote for Coromandaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coromandaline?
Yes, KEHONG BIO provides custom synthesis services for Coromandaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.