RefChem:1067472
TL;DR: RefChem:1067472 (CAS 106064-13-5) is a chemical compound with molecular formula C23H27Cl2NO3 and molecular weight 435.1368 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-4-phenylbut-3-en-2-one chloride
Also Known As: (Z)-3-(5-Chloro-2-(2-piperidinoethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate, 3-Buten-2-one, 3-(5-chloro-2-(2-piperidinoethoxy)phenoxy)-4-phenyl-, hydrochloride, hydrate, (Z)-, (Z)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-4-phenylbut-3-en-2-one chloride, (Z)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-4-phenylbut-3-en-2-one,chloride, 3-BUTEN-2-ONE, 3-(5-CHLORO-2-(2-PIPERIDINOETHOXY)PHENOXY)-4-PHENYL-, HYDROCHLORI
Technical Specifications
| Molecular Formula | C23H27Cl2NO3 |
| Molecular Weight | 435.1368 g/mol |
| XLogP | 0.8005 |
| Topological Polar Surface Area (TPSA) | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.1368 Da |
| Heavy Atoms | 29 |
| Complexity | 512.0 |
| SMILES | CC(=O)/C(=C/C1=CC=CC=C1)/OC2=C(C=CC(=C2)Cl)OCC[NH+]3CCCCC3.[Cl-] |
| InChIKey | QAPONSNJCGXVRW-IVVDCSPYSA-N |
Chemical Property Profile of RefChem:1067472
Property Insights of RefChem:1067472
The XLogP value of 0.8005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1067472. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:1067472 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1067472 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1067472?
The CAS number of RefChem:1067472 is 106064-13-5.
What is the molecular formula of RefChem:1067472?
The molecular formula of RefChem:1067472 is C23H27Cl2NO3.
What is the molecular weight of RefChem:1067472?
The molecular weight of RefChem:1067472 is 435.1368 g/mol.
Where can I buy RefChem:1067472?
You can request a quote for RefChem:1067472 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1067472?
Yes, CoreyChem provides custom synthesis services for RefChem:1067472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.