SR 44101 A
TL;DR: SR 44101 A (CAS 119585-00-1) is a chemical compound with molecular formula C23H27Cl3FNO2 and molecular weight 473.10913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] 4-fluorobenzoate;hydrochloride
Also Known As: SR 44101 A, Benzoic acid, 4-fluoro-, 2-(2,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride, 4-(Azepan-1-yl)-2-(2,4-dichlorophenyl)butyl 4-fluorobenzoate--hydrogen chloride (1/1), [4-(azepan-1-yl)-2-(2,4-dichlorophenyl)butyl] 4-fluorobenzoate hydrochloride
Technical Specifications
| Molecular Formula | C23H27Cl3FNO2 |
| Molecular Weight | 473.10913 g/mol |
| XLogP | 6.761 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.10913 Da |
| Heavy Atoms | 30 |
| Complexity | 493.0 |
| SMILES | C1CCCN(CC1)CCC(COC(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)Cl)Cl.Cl |
| InChIKey | DRBXAZGSXYUCJR-UHFFFAOYSA-N |
Chemical Property Profile of SR 44101 A
Property Insights of SR 44101 A
The XLogP value of 6.761 indicates that SR 44101 A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, SR 44101 A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SR 44101 A has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of SR 44101 A?
The CAS number of SR 44101 A is 119585-00-1.
What is the molecular formula of SR 44101 A?
The molecular formula of SR 44101 A is C23H27Cl3FNO2.
What is the molecular weight of SR 44101 A?
The molecular weight of SR 44101 A is 473.10913 g/mol.
Where can I buy SR 44101 A?
You can request a quote for SR 44101 A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for SR 44101 A?
Yes, CoreyChem provides custom synthesis services for SR 44101 A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.