4-(oct-7-en-1-yloxy)-4-oxobutanoic acid
TL;DR: 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid (CAS 6636-89-1) is a chemical compound with molecular formula C16H32NO3PS and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9aR)-1-(dipropoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Also Known As: 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid, (1R,9aR)-1-(dipropoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine, s-[(1r,9ar)-octahydro-2h-quinolizin-1-ylmethyl] o,o-dipropyl phosphorothioate, S-[(Octahydro-2H-quinolizin-1-yl)methyl] O,O-dipropyl phosphorothioate, S-{[(1R,9aR)-Octahydro-2H-quinolizin-1-yl]methyl} O,O-dipropyl phosphorothioate
| Molecular Formula | C16H32NO3PS |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 349.18405 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 6636-89-1 |
|---|---|
| SMILES | CCCOP(=O)(OCCC)SC[C@@H]1CCCN2[C@@H]1CCCC2 |
| InChIKey | AATGTCMCMFWACQ-JKSUJKDBSA-N |
Product Overview
4-(oct-7-en-1-yloxy)-4-oxobutanoic acid (CAS 6636-89-1), with molecular formula C16H32NO3PS and molecular weight 349.18 g/mol. IUPAC: (1R,9aR)-1-(dipropoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
Chemical Property Profile of 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid
Property Insights of 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid
The XLogP value of 3.4 indicates that 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid 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 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid?
The CAS number of 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid is 6636-89-1.
What is the molecular formula of 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid?
The molecular formula of 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid is C16H32NO3PS.
What is the molecular weight of 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid?
The molecular weight of 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid is 349.18 g/mol.
Where can I buy 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid?
You can request a quote for 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(oct-7-en-1-yloxy)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.