RefChem:1061993
TL;DR: RefChem:1061993 (CAS 20186-52-1) is a chemical compound with molecular formula C18H25Cl3N2O2 and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-piperidin-1-ium-1-ylcyclohexyl) N-(2,6-dichlorophenyl)carbamate chloride
Also Known As: 2,6-Dichlorocarbanilic acid, 2-piperidinocyclohexyl ester hydrochloride, 2-Piperidinocyclohexyl 2,6-dichlorocarbanilate hydrochloride, CARBANILIC ACID, 2,6-DICHLORO-, 2-PIPERIDINOCYCLOHEXYL ESTER, HYDROCHLORIDE, (2-piperidin-1-ium-1-ylcyclohexyl) N-(2,6-dichlorophenyl)carbamatechloride, (2-Piperidin-1-ium-1-ylcyclohexyl)n-(2,6-dichlorophenyl)carbamatechloride
| Molecular Formula | C18H25Cl3N2O2 |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 0.93 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.09818 |
| Heavy Atoms | 25 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 20186-52-1 |
|---|---|
| SMILES | C1CC[NH+](CC1)C2CCCCC2OC(=O)NC3=C(C=CC=C3Cl)Cl.[Cl-] |
| InChIKey | LDQUTFJLAUWSJS-UHFFFAOYSA-N |
Product Overview
RefChem:1061993 (CAS 20186-52-1), with molecular formula C18H25Cl3N2O2 and molecular weight 406.10 g/mol. IUPAC: (2-piperidin-1-ium-1-ylcyclohexyl) N-(2,6-dichlorophenyl)carbamate chloride.
Chemical Property Profile of RefChem:1061993
Property Insights of RefChem:1061993
The XLogP value of 0.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061993. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1061993 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061993 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
Frequently Asked Questions
What is the CAS number of RefChem:1061993?
The CAS number of RefChem:1061993 is 20186-52-1.
What is the molecular formula of RefChem:1061993?
The molecular formula of RefChem:1061993 is C18H25Cl3N2O2.
What is the molecular weight of RefChem:1061993?
The molecular weight of RefChem:1061993 is 406.10 g/mol.
Where can I buy RefChem:1061993?
You can request a quote for RefChem:1061993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061993?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.