Ro 1-9564
TL;DR: Ro 1-9564 (CAS 58261-38-4) is a chemical compound with molecular formula C21H33NO3 and molecular weight 347.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-9,10-dimethoxy-2-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
Also Known As: Ro 1-9564, Ro-1-9564, 2H-Benzo(a)quinolizin-2-ol, 3-ethyl-1,3,4,6,7,11b-hexahydro-2-isobutyl-9,10-dimethoxy-, 3-ethyl-9,10-dimethoxy-2-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol, 2H-Benzo(a)quinolizin-2-ol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(2-methylpropyl)-
| Molecular Formula | C21H33NO3 |
|---|---|
| Molecular Weight | 347.25 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.24603 |
| Heavy Atoms | 25 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 58261-38-4 |
|---|---|
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CC1(CC(C)C)O)OC)OC |
| InChIKey | JVARZFNONJRRCQ-UHFFFAOYSA-N |
Product Overview
Ro 1-9564 (CAS 58261-38-4), with molecular formula C21H33NO3 and molecular weight 347.25 g/mol. IUPAC: 3-ethyl-9,10-dimethoxy-2-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol.
Chemical Property Profile of Ro 1-9564
Property Insights of Ro 1-9564
The XLogP value of 3.9 indicates that Ro 1-9564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, Ro 1-9564 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 1-9564 has 1 hydrogen bond donor(s) and 4 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 1-9564?
The CAS number of Ro 1-9564 is 58261-38-4.
What is the molecular formula of Ro 1-9564?
The molecular formula of Ro 1-9564 is C21H33NO3.
What is the molecular weight of Ro 1-9564?
The molecular weight of Ro 1-9564 is 347.25 g/mol.
Where can I buy Ro 1-9564?
You can request a quote for Ro 1-9564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 1-9564?
Yes, KEHONG BIO provides custom synthesis services for Ro 1-9564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.