RefChem:1064532
TL;DR: RefChem:1064532 (CAS 119585-13-6) is a chemical compound with molecular formula C25H28Cl5NO2 and molecular weight 549.0563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate;hydrochloride
Also Known As: SR 44431 A, 2-Propenoic acid, 3-(2,4-dichlorophenyl)-, 2-(3,4-dichlorophenyl)-4-(hexahydro-1H-azepin-1-yl)butyl ester, hydrochloride, [4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate hydrochloride
Technical Specifications
| Molecular Formula | C25H28Cl5NO2 |
| Molecular Weight | 549.0563 g/mol |
| XLogP | 8.3283 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.0563 Da |
| Heavy Atoms | 33 |
| Complexity | 596.0 |
| SMILES | C1CCCN(CC1)CCC(COC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)Cl)Cl.Cl |
| InChIKey | FYBWMLOJCKBOSD-HCUGZAAXSA-N |
Chemical Property Profile of RefChem:1064532
Property Insights of RefChem:1064532
The XLogP value of 8.3283 indicates that RefChem:1064532 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:1064532 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1064532 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1064532?
The CAS number of RefChem:1064532 is 119585-13-6.
What is the molecular formula of RefChem:1064532?
The molecular formula of RefChem:1064532 is C25H28Cl5NO2.
What is the molecular weight of RefChem:1064532?
The molecular weight of RefChem:1064532 is 549.0563 g/mol.
Where can I buy RefChem:1064532?
You can request a quote for RefChem:1064532 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1064532?
Yes, CoreyChem provides custom synthesis services for RefChem:1064532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.