RefChem:1054758
TL;DR: RefChem:1054758 (CAS 31755-22-3) is a chemical compound with molecular formula C16H24Cl2N2O2 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-propan-2-ylpiperidin-1-ium-3-yl) N-(2-chloro-6-methylphenyl)carbamate chloride
Also Known As: N-Isopropyl-3-piperidyl 2-chloro-6-methylphenylcarbamate hydrochloride, Carbanilic acid, 6-chloro-2-methyl-, N-isopropyl-3-piperidinyl ester, hydrochloride, 6-Chloro-2-methylcarbanilic acid hydrochloride, N-isopropyl-3-piperidinyl ester, Carbamic acid, (2-chloro-6-methylphenyl)-, 1-(1-methylethyl)-3-piperidinyl ester, HCl, (1-propan-2-ylpiperidin-1-ium-3-yl) N-(2-chloro-6-methylphenyl)carbamate chloride
| Molecular Formula | C16H24Cl2N2O2 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | -0.34 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1215 |
| Heavy Atoms | 22 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 31755-22-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCC[NH+](C2)C(C)C.[Cl-] |
| InChIKey | JICCKKKVYQHSJY-UHFFFAOYSA-N |
Product Overview
RefChem:1054758 (CAS 31755-22-3), with molecular formula C16H24Cl2N2O2 and molecular weight 346.12 g/mol. IUPAC: (1-propan-2-ylpiperidin-1-ium-3-yl) N-(2-chloro-6-methylphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1054758
Property Insights of RefChem:1054758
The XLogP value of -0.34 indicates that RefChem:1054758 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1054758 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054758 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:1054758?
The CAS number of RefChem:1054758 is 31755-22-3.
What is the molecular formula of RefChem:1054758?
The molecular formula of RefChem:1054758 is C16H24Cl2N2O2.
What is the molecular weight of RefChem:1054758?
The molecular weight of RefChem:1054758 is 346.12 g/mol.
Where can I buy RefChem:1054758?
You can request a quote for RefChem:1054758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054758?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.