3'-Acetylheliosupine
TL;DR: 3'-Acetylheliosupine (CAS 31514-30-4) is a chemical compound with molecular formula C22H33NO8 and molecular weight 439.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(1-acetyloxyethyl)-2,3-dihydroxy-3-methylbutanoate
Also Known As: 3'-Acetylheliosupine, Acetylheliosupine, [(7R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(1-acetyloxyethyl)-2,3-dihydroxy-3-methylbutanoate, RefChem:90293
| Molecular Formula | C22H33NO8 |
|---|---|
| Molecular Weight | 439.22 g/mol |
| LogP | 0.8755 |
| Topological Polar Surface Area | 122.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.2206 |
| Heavy Atoms | 31 |
| Complexity | 780.8706 |
Chemical Identifiers
| CAS Number | 31514-30-4 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(C(C)OC(=O)C)(C(C)(C)O)O |
Product Overview
3'-Acetylheliosupine (CAS 31514-30-4), with molecular formula C22H33NO8 and molecular weight 439.22 g/mol. IUPAC: [(7R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(1-acetyloxyethyl)-2,3-dihydroxy-3-methylbutanoate.
Chemical Property Profile of 3'-Acetylheliosupine
Property Insights of 3'-Acetylheliosupine
The XLogP value of 0.8755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Acetylheliosupine. The TPSA of 122.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Acetylheliosupine. Following Lipinski's Rule of Five, 3'-Acetylheliosupine has 2 hydrogen bond donor(s) and 9 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 3'-Acetylheliosupine?
The CAS number of 3'-Acetylheliosupine is 31514-30-4.
What is the molecular formula of 3'-Acetylheliosupine?
The molecular formula of 3'-Acetylheliosupine is C22H33NO8.
What is the molecular weight of 3'-Acetylheliosupine?
The molecular weight of 3'-Acetylheliosupine is 439.22 g/mol.
Where can I buy 3'-Acetylheliosupine?
You can request a quote for 3'-Acetylheliosupine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Acetylheliosupine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Acetylheliosupine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.