Diacetylsupinine
TL;DR: Diacetylsupinine (CAS 78472-05-6) is a chemical compound with molecular formula C19H29NO6 and molecular weight 367.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-acetyloxy-2-[(1R)-1-acetyloxyethyl]-3-methylbutanoate
Also Known As: Diacetylsupinine, Supinine diacetate, [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-acetyloxy-2-[(1R)-1-acetyloxyethyl]-3-methylbutanoate, (7as)-2,3,5,7a-tetrahydro-1h-pyrrolizin-7-ylmethyl(2s,3r)-2,3-bis(acetyloxy)-2-(propan-2-yl)butanoate, [(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2,3-bis(acetyloxy)-2-(propan-2-yl)butanoate
| Molecular Formula | C19H29NO6 |
|---|---|
| Molecular Weight | 367.20 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 367.1995 |
| Heavy Atoms | 26 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 78472-05-6 |
|---|---|
| SMILES | C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1CCC2)OC(=O)C)OC(=O)C |
| InChIKey | POAXFJFSZNEOSZ-FMEYXAORSA-N |
Product Overview
Diacetylsupinine (CAS 78472-05-6), with molecular formula C19H29NO6 and molecular weight 367.20 g/mol. IUPAC: [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-acetyloxy-2-[(1R)-1-acetyloxyethyl]-3-methylbutanoate.
Chemical Property Profile of Diacetylsupinine
Property Insights of Diacetylsupinine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diacetylsupinine. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diacetylsupinine. Following Lipinski's Rule of Five, Diacetylsupinine has 0 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 Diacetylsupinine?
The CAS number of Diacetylsupinine is 78472-05-6.
What is the molecular formula of Diacetylsupinine?
The molecular formula of Diacetylsupinine is C19H29NO6.
What is the molecular weight of Diacetylsupinine?
The molecular weight of Diacetylsupinine is 367.20 g/mol.
Where can I buy Diacetylsupinine?
You can request a quote for Diacetylsupinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetylsupinine?
Yes, KEHONG BIO provides custom synthesis services for Diacetylsupinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.