Ro 14-9578
TL;DR: Ro 14-9578 (CAS 100891-41-6) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-oxo-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carboxylic acid
Also Known As: Ro 14-9578, Ro-14-9578, 6-methyl-2-oxo-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carboxylic acid, 2H-(1,3)Benzodioxolo(5,6-a)quinolizine-3-carboxylic acid, 6,7-dihydro-6-methyl-2-oxo-, 2H-[1,3]Benzodioxolo[5,6-a]quinolizine-3-carboxylic acid, 6,7-dihydro-6-methyl-2-oxo-
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 100891-41-6 |
|---|---|
| SMILES | CC1CC2=CC3=C(C=C2C4=CC(=O)C(=CN14)C(=O)O)OCO3 |
| InChIKey | DJUJOTVZFFTBPC-UHFFFAOYSA-N |
Product Overview
Ro 14-9578 (CAS 100891-41-6), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: 6-methyl-2-oxo-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carboxylic acid.
Chemical Property Profile of Ro 14-9578
Property Insights of Ro 14-9578
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 14-9578. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 14-9578. Following Lipinski's Rule of Five, Ro 14-9578 has 1 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 Ro 14-9578?
The CAS number of Ro 14-9578 is 100891-41-6.
What is the molecular formula of Ro 14-9578?
The molecular formula of Ro 14-9578 is C16H13NO5.
What is the molecular weight of Ro 14-9578?
The molecular weight of Ro 14-9578 is 299.08 g/mol.
Where can I buy Ro 14-9578?
You can request a quote for Ro 14-9578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 14-9578?
Yes, KEHONG BIO provides custom synthesis services for Ro 14-9578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.