RefChem:1062047
TL;DR: RefChem:1062047 (CAS 29848-21-3) is a chemical compound with molecular formula C20H31ClN2O2 and molecular weight 366.2074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2,4,6-trimethylphenyl)carbamate chloride
Also Known As: K 1602, 2,4,6-Trimethylcarbanilic acid 2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride, Carbanilic acid, 2,4,6-trimethyl-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2,4,6-trimethylphenyl)carbamate chloride, 2-(Pyrrolidin-1-yl)cyclohexyl hydrogen (2,4,6-trimethylphenyl)carbonimidate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C20H31ClN2O2 |
| Molecular Weight | 366.2074 g/mol |
| XLogP | 0.15 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.2074 Da |
| Heavy Atoms | 25 |
| Complexity | 410.0 |
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)OC2CCCCC2[NH+]3CCCC3)C.[Cl-] |
| InChIKey | HKOUJCDVIVCVBO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1062047
Property Insights of RefChem:1062047
The XLogP value of 0.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062047. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1062047 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062047 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
What is the CAS number of RefChem:1062047?
The CAS number of RefChem:1062047 is 29848-21-3.
What is the molecular formula of RefChem:1062047?
The molecular formula of RefChem:1062047 is C20H31ClN2O2.
What is the molecular weight of RefChem:1062047?
The molecular weight of RefChem:1062047 is 366.2074 g/mol.
Where can I buy RefChem:1062047?
You can request a quote for RefChem:1062047 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1062047?
Yes, CoreyChem provides custom synthesis services for RefChem:1062047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.