Retronecine 7,9-isovalerate diester
TL;DR: Retronecine 7,9-isovalerate diester (CAS 17874-60-1) is a chemical compound with molecular formula C18H29NO4 and molecular weight 323.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-(3-methylbutanoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-methylbutanoate
Also Known As: Retronecine 7,9-isovalerate diester, KST-1A2102, (1r,7ar)-7-{[(3-methylbutanoyl)oxy]methyl}-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 3-methylbutanoate, [(7R,8R)-7-(3-methylbutanoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-methylbutanoate, Butanoic acid, 3-methyl-, 2,3,5,7a-tetrahydro-7-((3-methyl-1-oxobutoxy)methyl)-1H-pyrrolizin-1-yl ester, (1R-trans)-
| Molecular Formula | C18H29NO4 |
|---|---|
| Molecular Weight | 323.21 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 323.20966 |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 17874-60-1 |
|---|---|
| SMILES | CC(C)CC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)CC(C)C |
| InChIKey | QXPBAAIJYQWSAO-CRAIPNDOSA-N |
Product Overview
Retronecine 7,9-isovalerate diester (CAS 17874-60-1), with molecular formula C18H29NO4 and molecular weight 323.21 g/mol. IUPAC: [(7R,8R)-7-(3-methylbutanoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-methylbutanoate.
Chemical Property Profile of Retronecine 7,9-isovalerate diester
Property Insights of Retronecine 7,9-isovalerate diester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Retronecine 7,9-isovalerate diester. With a topological polar surface area (TPSA) of 55.8 Ų, Retronecine 7,9-isovalerate diester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Retronecine 7,9-isovalerate diester has 0 hydrogen bond donor(s) and 5 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 Retronecine 7,9-isovalerate diester?
The CAS number of Retronecine 7,9-isovalerate diester is 17874-60-1.
What is the molecular formula of Retronecine 7,9-isovalerate diester?
The molecular formula of Retronecine 7,9-isovalerate diester is C18H29NO4.
What is the molecular weight of Retronecine 7,9-isovalerate diester?
The molecular weight of Retronecine 7,9-isovalerate diester is 323.21 g/mol.
Where can I buy Retronecine 7,9-isovalerate diester?
You can request a quote for Retronecine 7,9-isovalerate diester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Retronecine 7,9-isovalerate diester?
Yes, KEHONG BIO provides custom synthesis services for Retronecine 7,9-isovalerate diester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.