Rolofylline metabolite M1-cis
TL;DR: Rolofylline metabolite M1-cis (CAS 161167-65-3) is a chemical compound with molecular formula C20H28N4O3 and molecular weight 372.21616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(9-hydroxy-3-tricyclo[3.3.1.03,7]nonanyl)-1,3-dipropyl-7H-purine-2,6-dione
Also Known As: Rolofylline metabolite M1-cis, compound 4, Compound 3, Rolofylline metabolite M1-trans, J1.726.522I
Technical Specifications
| Molecular Formula | C20H28N4O3 |
| Molecular Weight | 372.21616 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 89.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.21616 Da |
| Heavy Atoms | 27 |
| Complexity | 639.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC3CC(C4)C5O |
| InChIKey | RQXXBTUEEJCGNQ-UHFFFAOYSA-N |
Chemical Property Profile of Rolofylline metabolite M1-cis
Property Insights of Rolofylline metabolite M1-cis
The XLogP value of 3.3 indicates that Rolofylline metabolite M1-cis is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Rolofylline metabolite M1-cis. Following Lipinski's Rule of Five, Rolofylline metabolite M1-cis has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Rolofylline metabolite M1-cis?
The CAS number of Rolofylline metabolite M1-cis is 161167-65-3.
What is the molecular formula of Rolofylline metabolite M1-cis?
The molecular formula of Rolofylline metabolite M1-cis is C20H28N4O3.
What is the molecular weight of Rolofylline metabolite M1-cis?
The molecular weight of Rolofylline metabolite M1-cis is 372.21616 g/mol.
Where can I buy Rolofylline metabolite M1-cis?
You can request a quote for Rolofylline metabolite M1-cis directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Rolofylline metabolite M1-cis?
Yes, CoreyChem provides custom synthesis services for Rolofylline metabolite M1-cis and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.