三角叶千里光碱
TL;DR: 三角叶千里光碱 (CAS 87340-27-0) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三角叶千里光碱
[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
Also Known As: Triangularine, 6-Angelyl-9-sarracinylretronecine, [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate, [(1R,7aR)-1-{[(2Z)-2-methylbut-2-enoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2Z)-2-(hydroxymethyl)but-2-enoate, 2-Butenoic acid, 2-(hydroxymethyl)-, [(1R,7aR)-2,3,5,7a-tetrahydro-1-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-1H-pyrrolizin-7-yl]methyl ester, (2Z)-
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 1.3605 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 590.21655 |
Chemical Identifiers
| CAS Number | 87340-27-0 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\C)/CO |
Product Overview
三角叶千里光碱 (CAS 87340-27-0), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate.
Chemical Property Profile of 三角叶千里光碱
Property Insights of 三角叶千里光碱
The XLogP value of 1.3605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三角叶千里光碱. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 三角叶千里光碱. Following Lipinski's Rule of Five, 三角叶千里光碱 has 1 hydrogen bond donor(s) and 6 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 三角叶千里光碱?
The CAS number of 三角叶千里光碱 is 87340-27-0.
What is the molecular formula of 三角叶千里光碱?
The molecular formula of 三角叶千里光碱 is C18H25NO5.
What is the molecular weight of 三角叶千里光碱?
The molecular weight of 三角叶千里光碱 is 335.17 g/mol.
Where can I buy 三角叶千里光碱?
You can request a quote for 三角叶千里光碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三角叶千里光碱?
Yes, KEHONG BIO provides custom synthesis services for 三角叶千里光碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.