RefChem:282291
TL;DR: RefChem:282291 (CAS 126999-37-9) is a chemical compound with molecular formula C19H26BrClN2O2 and molecular weight 428.0866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-adamantyl(methyl)amino]ethyl 5-bromopyridine-3-carboxylate;hydrochloride
Also Known As: 5-Bromonicotinic acid, beta-(N-methyl-N-(adamant-1-yl)amino)ethyl ester hydrochloride, 3-Pyridinecarboxylic acid, 5-bromo-, 2-(methyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl ester, monohydrochloride, 2-[1-adamantyl(methyl)amino]ethyl 5-bromopyridine-3-carboxyl, 2-[1-adamantyl(methyl)amino]ethyl 5-bromopyridine-3-carboxylate hydrochloride, 2-[(Adamantan-1-yl)(methyl)amino]ethyl 5-bromopyridine-3-carboxylate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C19H26BrClN2O2 |
| Molecular Weight | 428.0866 g/mol |
| XLogP | 4.32 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.0866 Da |
| Heavy Atoms | 25 |
| Complexity | 443.0 |
| SMILES | CN(CCOC(=O)C1=CC(=CN=C1)Br)C23CC4CC(C2)CC(C4)C3.Cl |
| InChIKey | NFMMYTRGFGSEJU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:282291
Property Insights of RefChem:282291
The XLogP value of 4.32 indicates that RefChem:282291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, RefChem:282291 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:282291 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
What is the CAS number of RefChem:282291?
The CAS number of RefChem:282291 is 126999-37-9.
What is the molecular formula of RefChem:282291?
The molecular formula of RefChem:282291 is C19H26BrClN2O2.
What is the molecular weight of RefChem:282291?
The molecular weight of RefChem:282291 is 428.0866 g/mol.
Where can I buy RefChem:282291?
You can request a quote for RefChem:282291 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:282291?
Yes, CoreyChem provides custom synthesis services for RefChem:282291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.