13-Bromo-1-cyclopropylmethylfestuclavine
TL;DR: 13-Bromo-1-cyclopropylmethylfestuclavine (CAS 122367-97-9) is a chemical compound with molecular formula C20H25BrN2 and molecular weight 372.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-2-bromo-4-(cyclopropylmethyl)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Also Known As: 13-Bromo-1-cyclopropylmethylfestuclavine, (8-beta)-13-Bromo-1-(cyclopropylmethyl)-6,8-dimethylergoline, 13-Bromo-1-(cyclopropylmethyl)-6,8-dimethylergoline, Ergoline, 13-bromo-1-(cyclopropylmethyl)-6,8-dimethyl-, (8-beta)-, Ergoline, 13-bromo-1-(cyclopropylmethyl)-6,8-dimethyl-, (8beta)-
Technical Specifications
| Molecular Formula | C20H25BrN2 |
| Molecular Weight | 372.12012 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 8.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.12012 Da |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
| SMILES | C[C@@H]1CC2[C@@H](CC3=CN(C4=CC(=CC2=C34)Br)CC5CC5)N(C1)C |
| InChIKey | PQBURNFCYKPOGL-VALIOXDKSA-N |
Chemical Property Profile of 13-Bromo-1-cyclopropylmethylfestuclavine
Property Insights of 13-Bromo-1-cyclopropylmethylfestuclavine
The XLogP value of 4.5 indicates that 13-Bromo-1-cyclopropylmethylfestuclavine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.2 Ų, 13-Bromo-1-cyclopropylmethylfestuclavine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-Bromo-1-cyclopropylmethylfestuclavine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 13-Bromo-1-cyclopropylmethylfestuclavine?
The CAS number of 13-Bromo-1-cyclopropylmethylfestuclavine is 122367-97-9.
What is the molecular formula of 13-Bromo-1-cyclopropylmethylfestuclavine?
The molecular formula of 13-Bromo-1-cyclopropylmethylfestuclavine is C20H25BrN2.
What is the molecular weight of 13-Bromo-1-cyclopropylmethylfestuclavine?
The molecular weight of 13-Bromo-1-cyclopropylmethylfestuclavine is 372.12012 g/mol.
Where can I buy 13-Bromo-1-cyclopropylmethylfestuclavine?
You can request a quote for 13-Bromo-1-cyclopropylmethylfestuclavine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 13-Bromo-1-cyclopropylmethylfestuclavine?
Yes, CoreyChem provides custom synthesis services for 13-Bromo-1-cyclopropylmethylfestuclavine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.