alpha-Obscurine
TL;DR: alpha-Obscurine (CAS 596-55-4) is a chemical compound with molecular formula C17H26N2O and molecular weight 274.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R,10R,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
Also Known As: alpha-Obscurine, (1R,9R,10R,16R)-14,16-Dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one, (4aR,5R,10bS,12R)-1,12-Dimethyl-2,3,4,4a,5,6,9,10-octahydro-1H-5,10b-propano-1,7-phenanthrolin-8(7H)-one
| Molecular Formula | C17H26N2O |
|---|---|
| Molecular Weight | 274.20 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.2045 |
| Heavy Atoms | 20 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 596-55-4 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2CC3=C(CCC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4C |
| InChIKey | HXJHQEWSHQXRPH-HPTBWKMGSA-N |
Product Overview
alpha-Obscurine (CAS 596-55-4), with molecular formula C17H26N2O and molecular weight 274.20 g/mol. IUPAC: (1R,9R,10R,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one.
Chemical Property Profile of alpha-Obscurine
Property Insights of alpha-Obscurine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Obscurine. With a topological polar surface area (TPSA) of 32.3 Ų, alpha-Obscurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Obscurine has 1 hydrogen bond donor(s) and 2 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 alpha-Obscurine?
The CAS number of alpha-Obscurine is 596-55-4.
What is the molecular formula of alpha-Obscurine?
The molecular formula of alpha-Obscurine is C17H26N2O.
What is the molecular weight of alpha-Obscurine?
The molecular weight of alpha-Obscurine is 274.20 g/mol.
Where can I buy alpha-Obscurine?
You can request a quote for alpha-Obscurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Obscurine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Obscurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.