Obelin
TL;DR: Obelin (CAS 187218-90-2) is a chemical compound with molecular formula C26H32N4O4 and molecular weight 464.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
Also Known As: Obelin, SRA880 free base, SRA880, SRA880 (free base), NVP-SRA880
| Molecular Formula | C26H32N4O4 |
|---|---|
| Molecular Weight | 464.24 g/mol |
| LogP | 2.9873 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.24237 |
| Heavy Atoms | 34 |
| Complexity | 1064.9703 |
Chemical Identifiers
| CAS Number | 187218-90-2 |
|---|---|
| SMILES | CN1C[C@@H](C[C@H]2[C@H]1CC3=C(C2)C(=CC=C3)OC)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
Obelin (CAS 187218-90-2), with molecular formula C26H32N4O4 and molecular weight 464.24 g/mol. IUPAC: [(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of Obelin
Property Insights of Obelin
The XLogP value of 2.9873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Obelin. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Obelin. Following Lipinski's Rule of Five, Obelin 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 Obelin?
The CAS number of Obelin is 187218-90-2.
What is the molecular formula of Obelin?
The molecular formula of Obelin is C26H32N4O4.
What is the molecular weight of Obelin?
The molecular weight of Obelin is 464.24 g/mol.
Where can I buy Obelin?
You can request a quote for Obelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Obelin?
Yes, KEHONG BIO provides custom synthesis services for Obelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.