RefChem:333071
TL;DR: RefChem:333071 (CAS 52205-54-6) is a chemical compound with molecular formula C22H37ClN2O3 and molecular weight 412.24927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-pentoxyphenyl)carbamate chloride
Also Known As: Carbanilic acid, N-ethyl-m-(pentyloxy)-, 1-methyl-2-piperidinoethyl ester, monohydrochloride, 1-Methyl-2-piperidinoethyl N-ethyl-m-(pentyloxy)carbanilate hydrochloride, N-Ethyl-m-(pentyloxy)carbanilic acid 1-methyl-2-piperidinoethyl ester monohydrochloride, 1-Piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-pentoxyphenyl)carbamatechloride, 1-piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-pentoxyphenyl)carbamate chloride
Technical Specifications
| Molecular Formula | C22H37ClN2O3 |
| Molecular Weight | 412.24927 g/mol |
| XLogP | 0.68 |
| Topological Polar Surface Area (TPSA) | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 412.24927 Da |
| Heavy Atoms | 28 |
| Complexity | 412.0 |
| SMILES | CCCCCOC1=CC=CC(=C1)N(CC)C(=O)OC(C)C[NH+]2CCCCC2.[Cl-] |
| InChIKey | IYSNAOBRYDBRJL-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:333071
Property Insights of RefChem:333071
The XLogP value of 0.68 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333071. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:333071 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333071 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:333071?
The CAS number of RefChem:333071 is 52205-54-6.
What is the molecular formula of RefChem:333071?
The molecular formula of RefChem:333071 is C22H37ClN2O3.
What is the molecular weight of RefChem:333071?
The molecular weight of RefChem:333071 is 412.24927 g/mol.
Where can I buy RefChem:333071?
You can request a quote for RefChem:333071 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:333071?
Yes, CoreyChem provides custom synthesis services for RefChem:333071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.