B-1 248
TL;DR: B-1 248 (CAS 124444-96-8) is a chemical compound with molecular formula C17H20Cl3N3O and molecular weight 387.0672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
Also Known As: B-1 248, Piperazine, 1-(5-chloro-2-methylphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride, 1-(5-Chloro-2-methylphenyl)-4-(3-pyridinylcarbonyl)piperazine dihydrochloride, [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone dihydrochloride, [4-(5-Chloro-2-methylphenyl)piperazin-1-yl](pyridin-3-yl)methanone--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C17H20Cl3N3O |
| Molecular Weight | 387.0672 g/mol |
| XLogP | 3.84942 |
| Topological Polar Surface Area (TPSA) | 36.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.0672 Da |
| Heavy Atoms | 24 |
| Complexity | 384.0 |
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN=CC=C3.Cl.Cl |
| InChIKey | UUIIMQJKUKVJMH-UHFFFAOYSA-N |
Chemical Property Profile of B-1 248
Property Insights of B-1 248
The XLogP value of 3.84942 indicates that B-1 248 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.4 Ų, B-1 248 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, B-1 248 has 2 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 B-1 248?
The CAS number of B-1 248 is 124444-96-8.
What is the molecular formula of B-1 248?
The molecular formula of B-1 248 is C17H20Cl3N3O.
What is the molecular weight of B-1 248?
The molecular weight of B-1 248 is 387.0672 g/mol.
Where can I buy B-1 248?
You can request a quote for B-1 248 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for B-1 248?
Yes, CoreyChem provides custom synthesis services for B-1 248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.