Ro 4-1398
TL;DR: Ro 4-1398 (CAS 37819-46-8) is a chemical compound with molecular formula C24H40ClNO4 and molecular weight 441.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dimethoxy-2-(3-methoxybutyl)-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol;hydrochloride
Also Known As: Ro4-1398 hydrochloride, Ro 4-1398, 2-Hydroxy-2-(3'-methoxybutyl)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizine hydrochloride, 2H-Benzo(a)quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(3-methoxybutyl)-3-(2-methylpropyl)-, hydrochloride, 9,10-dimethoxy-2-(3-methoxybutyl)-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol;hydrochloride
| Molecular Formula | C24H40ClNO4 |
|---|---|
| Molecular Weight | 441.26 g/mol |
| LogP | 4.637 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.2646 |
| Heavy Atoms | 30 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 37819-46-8 |
|---|---|
| SMILES | CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1(CCC(C)OC)O)OC)OC.Cl |
| InChIKey | NSHFNMXITKXFIH-UHFFFAOYSA-N |
Product Overview
Ro 4-1398 (CAS 37819-46-8), with molecular formula C24H40ClNO4 and molecular weight 441.26 g/mol. IUPAC: 9,10-dimethoxy-2-(3-methoxybutyl)-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol;hydrochloride.
Chemical Property Profile of Ro 4-1398
Property Insights of Ro 4-1398
The XLogP value of 4.637 indicates that Ro 4-1398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Ro 4-1398 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 4-1398 has 2 hydrogen bond donor(s) and 5 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 4-1398?
The CAS number of Ro 4-1398 is 37819-46-8.
What is the molecular formula of Ro 4-1398?
The molecular formula of Ro 4-1398 is C24H40ClNO4.
What is the molecular weight of Ro 4-1398?
The molecular weight of Ro 4-1398 is 441.26 g/mol.
Where can I buy Ro 4-1398?
You can request a quote for Ro 4-1398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 4-1398?
Yes, KEHONG BIO provides custom synthesis services for Ro 4-1398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.