RefChem:1089909
TL;DR: RefChem:1089909 (CAS 1253-20-9) is a chemical compound with molecular formula C24H29NO5 and molecular weight 411.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] hexanoate
Also Known As: Codeinone, 14-hydroxy-, hexanoate, Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, hexanoate (ester), Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-((1-oxohexyl)oxy)-, (5-alpha)-, 3-Methoxy-17-methyl-6-oxo-5alpha-7,8-didehydro-4,5-epoxymorphinan-14-yl hexanoate, 3-Methoxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-14-yl hexanoate
| Molecular Formula | C24H29NO5 |
|---|---|
| Molecular Weight | 411.20 g/mol |
| LogP | 2.9554 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.20456 |
| Heavy Atoms | 30 |
| Complexity | 939.7691 |
Chemical Identifiers
| CAS Number | 1253-20-9 |
|---|---|
| SMILES | CCCCCC(=O)O[C@@]12C=CC(=O)[C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)OC)O3)C |
Product Overview
RefChem:1089909 (CAS 1253-20-9), with molecular formula C24H29NO5 and molecular weight 411.20 g/mol. IUPAC: [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] hexanoate.
Chemical Property Profile of RefChem:1089909
Property Insights of RefChem:1089909
The XLogP value of 2.9554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1089909. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1089909. Following Lipinski's Rule of Five, RefChem:1089909 has 0 hydrogen bond donor(s) and 6 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 RefChem:1089909?
The CAS number of RefChem:1089909 is 1253-20-9.
What is the molecular formula of RefChem:1089909?
The molecular formula of RefChem:1089909 is C24H29NO5.
What is the molecular weight of RefChem:1089909?
The molecular weight of RefChem:1089909 is 411.20 g/mol.
Where can I buy RefChem:1089909?
You can request a quote for RefChem:1089909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089909?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.