beta-Obscurine
TL;DR: beta-Obscurine (CAS 467-79-8) is a chemical compound with molecular formula C17H24N2O and molecular weight 272.19 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]heptadeca-2(7),3-dien-5-one
Also Known As: beta-Obscurine, (4aR,5R,10bS,12R)-1,12-Dimethyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-propano-1,7-phenanthrolin-8(7H)-one
| Molecular Formula | C17H24N2O |
|---|---|
| Molecular Weight | 272.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.18887 |
| Heavy Atoms | 20 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 467-79-8 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4C |
| InChIKey | SIQKNJDHWYZFFT-HPTBWKMGSA-N |
Product Overview
beta-Obscurine (CAS 467-79-8), with molecular formula C17H24N2O and molecular weight 272.19 g/mol. IUPAC: (1R,9R,10R,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-5-one.
Chemical Property Profile of beta-Obscurine
Property Insights of beta-Obscurine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Obscurine. With a topological polar surface area (TPSA) of 32.3 Ų, beta-Obscurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-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 beta-Obscurine?
The CAS number of beta-Obscurine is 467-79-8.
What is the molecular formula of beta-Obscurine?
The molecular formula of beta-Obscurine is C17H24N2O.
What is the molecular weight of beta-Obscurine?
The molecular weight of beta-Obscurine is 272.19 g/mol.
Where can I buy beta-Obscurine?
You can request a quote for beta-Obscurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Obscurine?
Yes, KEHONG BIO provides custom synthesis services for beta-Obscurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.