1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride
TL;DR: 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride (CAS 49663-94-7) is a chemical compound with molecular formula C16H23ClN2 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium chloride
Also Known As: BENZYL-DBU-CHLORIDE, EINECS 256-419-6, 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride, 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium chloride, 1-benzyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium;chloride
| Molecular Formula | C16H23ClN2 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | -0.1187 |
| Topological Polar Surface Area | 6.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.15497 |
| Heavy Atoms | 19 |
| Complexity | 427.6349 |
Chemical Identifiers
| CAS Number | 49663-94-7 |
|---|---|
| SMILES | C1CCC2=[N+](CC1)CCCN2CC3=CC=CC=C3.[Cl-] |
Product Overview
1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride (CAS 49663-94-7), with molecular formula C16H23ClN2 and molecular weight 278.15 g/mol. IUPAC: 1-benzyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium chloride.
Chemical Property Profile of 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride
Property Insights of 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride
The XLogP value of -0.1187 indicates that 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 6.25 Ų, 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride 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
Frequently Asked Questions
What is the CAS number of 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride?
The CAS number of 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride is 49663-94-7.
What is the molecular formula of 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride?
The molecular formula of 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride is C16H23ClN2.
What is the molecular weight of 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride?
The molecular weight of 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride is 278.15 g/mol.
Where can I buy 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride?
You can request a quote for 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2,3,4,6,7,8,9,10-octahydropyrimido(1,2-a)azepinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.