9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide
TL;DR: 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide (CAS 127441-92-3) is a chemical compound with molecular formula C18H22ClNO5 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-(4-chlorophenyl)-2-hydroxybutanoate
Also Known As: 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide, 2,3-Pyridinedicarboxylic acid,6-chloro, [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-(4-chlorophenyl)-2-hydroxybutanoate, Benzeneacetic acid, 4-chloro-alpha-ethyl-alpha-hydroxy-(2,3,5,7a-tetrahydro-1-hydroxy-(1H)-pyrrolizin-7-yl)methyl ester, N-oxide, (1R-(1-alpha,7(R*),7a-beta))-, (7-Hydroxy-4-oxo-3,4,5,6,7,7a-hexahydro-4lambda~5~-pyrrolizin-1-yl)methyl 2-(4-chlorophenyl)-2-hydroxybutanoate
| Molecular Formula | C18H22ClNO5 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 1.8686 |
| Topological Polar Surface Area | 89.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.11865 |
| Heavy Atoms | 25 |
| Complexity | 691.2118 |
Chemical Identifiers
| CAS Number | 127441-92-3 |
|---|---|
| SMILES | CC[C@@](C1=CC=C(C=C1)Cl)(C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)O)[O-])O |
Product Overview
9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide (CAS 127441-92-3), with molecular formula C18H22ClNO5 and molecular weight 367.12 g/mol. IUPAC: [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-(4-chlorophenyl)-2-hydroxybutanoate.
Chemical Property Profile of 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide
Property Insights of 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide
The XLogP value of 1.8686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide. The TPSA of 89.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide. Following Lipinski's Rule of Five, 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide has 2 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 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide?
The CAS number of 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide is 127441-92-3.
What is the molecular formula of 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide?
The molecular formula of 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide is C18H22ClNO5.
What is the molecular weight of 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide?
The molecular weight of 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide is 367.12 g/mol.
Where can I buy 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide?
You can request a quote for 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.