RefChem:1062048
TL;DR: RefChem:1062048 (CAS 20317-96-8) is a chemical compound with molecular formula C17H23Cl3N2O2 and molecular weight 392.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2,6-dichlorophenyl)carbamate chloride
Also Known As: 2,6-Dichlorocarbanilic acid 2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride, 2-(1-Pyrrolidinyl)cyclohexyl 2,6-dichlorocarbanilate hydrochloride, Carbanilic acid, 2,6-dichloro-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (2-Pyrrolidin-1-ium-1-ylcyclohexyl)n-(2,6-dichlorophenyl)carbamatechloride, (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2,6-dichlorophenyl)carbamate chloride
| Molecular Formula | C17H23Cl3N2O2 |
|---|---|
| Molecular Weight | 392.08 g/mol |
| LogP | 0.54 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.08252 |
| Heavy Atoms | 24 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 20317-96-8 |
|---|---|
| SMILES | C1CCC(C(C1)[NH+]2CCCC2)OC(=O)NC3=C(C=CC=C3Cl)Cl.[Cl-] |
| InChIKey | HFLNYHTUFQJOCH-UHFFFAOYSA-N |
Product Overview
RefChem:1062048 (CAS 20317-96-8), with molecular formula C17H23Cl3N2O2 and molecular weight 392.08 g/mol. IUPAC: (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2,6-dichlorophenyl)carbamate chloride.
Chemical Property Profile of RefChem:1062048
Property Insights of RefChem:1062048
The XLogP value of 0.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062048. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1062048 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062048 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:1062048?
The CAS number of RefChem:1062048 is 20317-96-8.
What is the molecular formula of RefChem:1062048?
The molecular formula of RefChem:1062048 is C17H23Cl3N2O2.
What is the molecular weight of RefChem:1062048?
The molecular weight of RefChem:1062048 is 392.08 g/mol.
Where can I buy RefChem:1062048?
You can request a quote for RefChem:1062048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062048?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.