RefChem:1062050
TL;DR: RefChem:1062050 (CAS 20131-75-3) is a chemical compound with molecular formula C18H27ClN2O2 and molecular weight 338.18 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-methylphenyl)carbamate chloride
Also Known As: o-Methylcarbanilic acid 2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride, CARBANILIC ACID, o-METHYL-, 2-(1-PYRROLIDINYL)CYCLOHEXYL ESTER, HYDROCHLORIDE, (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride, 2-(Pyrrolidin-1-yl)cyclohexyl hydrogen (2-methylphenyl)carbonimidate--hydrogen chloride (1/1), RefChem:1062050
| Molecular Formula | C18H27ClN2O2 |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | -0.46 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.17612 |
| Heavy Atoms | 23 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 20131-75-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)OC2CCCCC2[NH+]3CCCC3.[Cl-] |
| InChIKey | QGTBXMXACGMFFG-UHFFFAOYSA-N |
Product Overview
RefChem:1062050 (CAS 20131-75-3), with molecular formula C18H27ClN2O2 and molecular weight 338.18 g/mol. IUPAC: (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1062050
Property Insights of RefChem:1062050
The XLogP value of -0.46 indicates that RefChem:1062050 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:1062050 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062050 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:1062050?
The CAS number of RefChem:1062050 is 20131-75-3.
What is the molecular formula of RefChem:1062050?
The molecular formula of RefChem:1062050 is C18H27ClN2O2.
What is the molecular weight of RefChem:1062050?
The molecular weight of RefChem:1062050 is 338.18 g/mol.
Where can I buy RefChem:1062050?
You can request a quote for RefChem:1062050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062050?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.