RefChem:1061994
TL;DR: RefChem:1061994 (CAS 17095-85-1) is a chemical compound with molecular formula C19H28Cl2N2O2 and molecular weight 386.15 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-chloro-6-methylphenyl)carbamate chloride
Also Known As: 2-Chloro-6-methylcarbanilic acid 2-piperidinocyclohexyl ester hydrochloride, CARBANILIC ACID, 2-CHLORO-6-METHYL-, 2-PIPERIDINOCYCLOHEXYL ESTER, HYDROCHLORIDE, Carbanilic acid, 2-chloro-6-methyl-, 2-piperidinocyclohexyl ester, monohydrochloride, (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride, (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamatechloride
| Molecular Formula | C19H28Cl2N2O2 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 0.58 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.15277 |
| Heavy Atoms | 25 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 17095-85-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCCCC2[NH+]3CCCCC3.[Cl-] |
| InChIKey | QUOUSURMXFEXEI-UHFFFAOYSA-N |
Product Overview
RefChem:1061994 (CAS 17095-85-1), with molecular formula C19H28Cl2N2O2 and molecular weight 386.15 g/mol. IUPAC: (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1061994
Property Insights of RefChem:1061994
The XLogP value of 0.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061994. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1061994 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061994 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:1061994?
The CAS number of RefChem:1061994 is 17095-85-1.
What is the molecular formula of RefChem:1061994?
The molecular formula of RefChem:1061994 is C19H28Cl2N2O2.
What is the molecular weight of RefChem:1061994?
The molecular weight of RefChem:1061994 is 386.15 g/mol.
Where can I buy RefChem:1061994?
You can request a quote for RefChem:1061994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061994?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.