达米酮B
TL;DR: 达米酮B (CAS 138683-67-7) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
达米酮B
7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione
Also Known As: Damirone B, methyl[?]dione, JYLGJUYDUWMFOL-UHFFFAOYSA-, 7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione, 5-methyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]quinoline-7,8-dione
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 138683-67-7 |
|---|---|
| SMILES | CN1CCC2=CNC3=C2C1=CC(=O)C3=O |
| InChIKey | JYLGJUYDUWMFOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
达米酮B (CAS 138683-67-7), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione.
Chemical Property Profile of 达米酮B
Property Insights of 达米酮B
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 达米酮B. With a topological polar surface area (TPSA) of 53.2 Ų, 达米酮B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Damirone B has 1 hydrogen bond donor(s) and 3 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 Damirone B?
The CAS number of Damirone B is 138683-67-7.
What is the molecular formula of Damirone B?
The molecular formula of Damirone B is C11H10N2O2.
What is the molecular weight of Damirone B?
The molecular weight of Damirone B is 202.07 g/mol.
Where can I buy Damirone B?
You can request a quote for Damirone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Damirone B?
Yes, KEHONG BIO provides custom synthesis services for Damirone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.