9-Angeloylretronecine
TL;DR: 9-Angeloylretronecine (CAS 6922-62-9) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-methylbut-2-enoate
Also Known As: 9-Angeloylretronecine, 9-Angelylretronecine, Retronecine, 7-angelate, J2.642.723A, [(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2Z)-2-methylbut-2-enoate
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 6922-62-9 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O |
| InChIKey | VYUQPLFRNDQDHW-BTRLNGJCSA-N |
Product Overview
9-Angeloylretronecine (CAS 6922-62-9), with molecular formula C13H19NO3 and molecular weight 237.14 g/mol. IUPAC: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-methylbut-2-enoate.
Chemical Property Profile of 9-Angeloylretronecine
Property Insights of 9-Angeloylretronecine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Angeloylretronecine. With a topological polar surface area (TPSA) of 49.8 Ų, 9-Angeloylretronecine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Angeloylretronecine has 1 hydrogen bond donor(s) and 4 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 9-Angeloylretronecine?
The CAS number of 9-Angeloylretronecine is 6922-62-9.
What is the molecular formula of 9-Angeloylretronecine?
The molecular formula of 9-Angeloylretronecine is C13H19NO3.
What is the molecular weight of 9-Angeloylretronecine?
The molecular weight of 9-Angeloylretronecine is 237.14 g/mol.
Where can I buy 9-Angeloylretronecine?
You can request a quote for 9-Angeloylretronecine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Angeloylretronecine?
Yes, KEHONG BIO provides custom synthesis services for 9-Angeloylretronecine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.