RefChem:1081086
TL;DR: RefChem:1081086 (CAS 31755-24-5) is a chemical compound with molecular formula C17H26Cl2N2O2 and molecular weight 360.13715 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-tert-butylpiperidin-1-ium-3-yl) N-(2-chloro-6-methylphenyl)carbamate chloride
Also Known As: Carbanilic acid, 6-chloro-2-methyl-, N-tert-butyl-3-piperidinyl ester, hydrochloride, N-tert-Butyl-3-piperidyl 2-chloro-6-methylphenylcarbamate hydrochloride, N-tert-Butyl-3-piperidinyl 6-chloro-2-methylcarbanilate hydrochloride, 6-Chloro-2-methylcarbanilic acid hydrochloride, N-tert-butyl-3-piperidinyl ester, Carbamic acid, (2-chloro-6-methylphenyl)-, 1-(1,1-dimethylethyl)-3-piperidinyl ester, HCl
Technical Specifications
| Molecular Formula | C17H26Cl2N2O2 |
| Molecular Weight | 360.13715 g/mol |
| XLogP | 0.05 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.13715 Da |
| Heavy Atoms | 23 |
| Complexity | 383.0 |
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCC[NH+](C2)C(C)(C)C.[Cl-] |
| InChIKey | CZGLGDWLDZFFRP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1081086
Property Insights of RefChem:1081086
The XLogP value of 0.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1081086. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1081086 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081086 has 2 hydrogen bond donor(s) and 3 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:1081086?
The CAS number of RefChem:1081086 is 31755-24-5.
What is the molecular formula of RefChem:1081086?
The molecular formula of RefChem:1081086 is C17H26Cl2N2O2.
What is the molecular weight of RefChem:1081086?
The molecular weight of RefChem:1081086 is 360.13715 g/mol.
Where can I buy RefChem:1081086?
You can request a quote for RefChem:1081086 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1081086?
Yes, CoreyChem provides custom synthesis services for RefChem:1081086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.