Alniditan dihydrochloride
TL;DR: Alniditan dihydrochloride (CAS 155428-00-5) is a chemical compound with molecular formula C17H27ClN4O and molecular weight 338.18735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydrochloride
Also Known As: Alniditan dihydrochloride, 3-[(1,3-Diazinan-2-ylidene)amino]-N-[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl]propan-1-amine--hydrogen chloride (1/1), 3-[(1,3-Diazinan-2-ylidene)amino]-N-{[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl}propan-1-amine--hydrogen chloride (1/1), N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine hydrochloride
Technical Specifications
| Molecular Formula | C17H27ClN4O |
| Molecular Weight | 338.18735 g/mol |
| XLogP | 1.72 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.18735 Da |
| Heavy Atoms | 23 |
| Complexity | 361.0 |
| SMILES | C1CNC(=NC1)NCCCNC[C@H]2CCC3=CC=CC=C3O2.Cl |
| InChIKey | BHFNHKKGGQTOBO-XFULWGLBSA-N |
Chemical Property Profile of Alniditan dihydrochloride
Property Insights of Alniditan dihydrochloride
The XLogP value of 1.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alniditan dihydrochloride. With a topological polar surface area (TPSA) of 57.7 Ų, Alniditan dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alniditan dihydrochloride has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Alniditan dihydrochloride?
The CAS number of Alniditan dihydrochloride is 155428-00-5.
What is the molecular formula of Alniditan dihydrochloride?
The molecular formula of Alniditan dihydrochloride is C17H27ClN4O.
What is the molecular weight of Alniditan dihydrochloride?
The molecular weight of Alniditan dihydrochloride is 338.18735 g/mol.
Where can I buy Alniditan dihydrochloride?
You can request a quote for Alniditan dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alniditan dihydrochloride?
Yes, CoreyChem provides custom synthesis services for Alniditan dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.