RefChem:1061598
TL;DR: RefChem:1061598 (CAS 20186-51-0) is a chemical compound with molecular formula C17H25Cl3N2O2 and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2,6-dichlorophenyl)carbamoyloxy]cyclohexyl]-diethylazanium chloride
Also Known As: 2-(Diethylamino)cyclohexyl 2,6-dichlorocarbanilate hydrochloride, [2-[(2,6-dichlorophenyl)carbamoyloxy]cyclohexyl]-diethylazanium chloride, 2,6-Dichlorocarbanilic acid 2-(diethylamino)cyclohexyl ester hydrochloride, CARBANILIC ACID, 2,6-DICHLORO-, 2-(DIETHYLAMINO)CYCLOHEXYL ESTER, HYDROCHLORIDE, 2-(Diethylamino)cyclohexyl hydrogen (2,6-dichlorophenyl)carbonimidate--hydrogen chloride (1/1)
| Molecular Formula | C17H25Cl3N2O2 |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 0.78 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.09818 |
| Heavy Atoms | 24 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 20186-51-0 |
|---|---|
| SMILES | CC[NH+](CC)C1CCCCC1OC(=O)NC2=C(C=CC=C2Cl)Cl.[Cl-] |
| InChIKey | ALOSFTQSNXUWGT-UHFFFAOYSA-N |
Product Overview
RefChem:1061598 (CAS 20186-51-0), with molecular formula C17H25Cl3N2O2 and molecular weight 394.10 g/mol. IUPAC: [2-[(2,6-dichlorophenyl)carbamoyloxy]cyclohexyl]-diethylazanium chloride.
Chemical Property Profile of RefChem:1061598
Property Insights of RefChem:1061598
The XLogP value of 0.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061598. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1061598 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061598 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:1061598?
The CAS number of RefChem:1061598 is 20186-51-0.
What is the molecular formula of RefChem:1061598?
The molecular formula of RefChem:1061598 is C17H25Cl3N2O2.
What is the molecular weight of RefChem:1061598?
The molecular weight of RefChem:1061598 is 394.10 g/mol.
Where can I buy RefChem:1061598?
You can request a quote for RefChem:1061598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061598?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.