SR 44539 A
TL;DR: SR 44539 A (CAS 119585-17-0) is a chemical compound with molecular formula C21H22Cl5NO3 and molecular weight 511.00424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2,4-dichlorophenyl)-4-morpholin-4-ylbutyl] 2,4-dichlorobenzoate;hydrochloride
Also Known As: SR 44539 A, Benzoic acid, 2,4-dichloro-, 2-(2,4-dichlorophenyl)-4-(4-morpholinyl)butyl ester, hydrochloride, 2-(2,4-Dichlorophenyl)-4-(morpholin-4-yl)butyl 2,4-dichlorobenzoate--hydrogen chloride (1/1), [2-(2,4-dichlorophenyl)-4-morpholin-4-ylbutyl] 2,4-dichlorobenzoate hydrochloride
Technical Specifications
| Molecular Formula | C21H22Cl5NO3 |
| Molecular Weight | 511.00424 g/mol |
| XLogP | 6.3849 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.00424 Da |
| Heavy Atoms | 30 |
| Complexity | 520.0 |
| SMILES | C1COCCN1CCC(COC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=C(C=C(C=C3)Cl)Cl.Cl |
| InChIKey | WFIXSCPABWSTJQ-UHFFFAOYSA-N |
Chemical Property Profile of SR 44539 A
Property Insights of SR 44539 A
The XLogP value of 6.3849 indicates that SR 44539 A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, SR 44539 A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SR 44539 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 44539 A?
The CAS number of SR 44539 A is 119585-17-0.
What is the molecular formula of SR 44539 A?
The molecular formula of SR 44539 A is C21H22Cl5NO3.
What is the molecular weight of SR 44539 A?
The molecular weight of SR 44539 A is 511.00424 g/mol.
Where can I buy SR 44539 A?
You can request a quote for SR 44539 A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for SR 44539 A?
Yes, CoreyChem provides custom synthesis services for SR 44539 A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.