仰卧天芥菜碱
TL;DR: 仰卧天芥菜碱 (CAS 32728-78-2) is a chemical compound with molecular formula C20H31NO7 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
仰卧天芥菜碱
[7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Also Known As: HELIOSUPINE, [7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate, [7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate, [7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate
| Molecular Formula | C20H31NO7 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 397.21005 |
| Heavy Atoms | 28 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 32728-78-2 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)O)(C(C)(C)O)O |
| InChIKey | HRSGCYGUWHGOPY-UHFFFAOYSA-N |
Product Overview
仰卧天芥菜碱 (CAS 32728-78-2), with molecular formula C20H31NO7 and molecular weight 397.21 g/mol. IUPAC: [7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate.
Chemical Property Profile of 仰卧天芥菜碱
Property Insights of 仰卧天芥菜碱
The XLogP value of -0.1 indicates that 仰卧天芥菜碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 仰卧天芥菜碱. Following Lipinski's Rule of Five, 仰卧天芥菜碱 has 3 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 仰卧天芥菜碱?
The CAS number of 仰卧天芥菜碱 is 32728-78-2.
What is the molecular formula of 仰卧天芥菜碱?
The molecular formula of 仰卧天芥菜碱 is C20H31NO7.
What is the molecular weight of 仰卧天芥菜碱?
The molecular weight of 仰卧天芥菜碱 is 397.21 g/mol.
Where can I buy 仰卧天芥菜碱?
You can request a quote for 仰卧天芥菜碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 仰卧天芥菜碱?
Yes, KEHONG BIO provides custom synthesis services for 仰卧天芥菜碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.