RefChem:333053
TL;DR: RefChem:333053 (CAS 38198-31-1) is a chemical compound with molecular formula C22H37ClN2O3 and molecular weight 412.24927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[(1R,2R)-2-[(3-pentoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride
Also Known As: m-Pentyloxycarbanilic acid trans-2-(diethylamino)cyclohexyl ester hydrochloride, Carbanilic acid, m-pentyloxy-, 2-(diethylamino)cyclohexyl ester, hydrochloride, (E)-, diethyl-[(1R,2R)-2-[(3-pentoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride
Technical Specifications
| Molecular Formula | C22H37ClN2O3 |
| Molecular Weight | 412.24927 g/mol |
| XLogP | 1.04 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 412.24927 Da |
| Heavy Atoms | 28 |
| Complexity | 414.0 |
| SMILES | CCCCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCC[C@H]2[NH+](CC)CC.[Cl-] |
| InChIKey | FWDHSZALKDVGOE-MUCZFFFMSA-N |
Chemical Property Profile of RefChem:333053
Property Insights of RefChem:333053
The XLogP value of 1.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333053. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:333053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333053 has 2 hydrogen bond donor(s) and 4 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:333053?
The CAS number of RefChem:333053 is 38198-31-1.
What is the molecular formula of RefChem:333053?
The molecular formula of RefChem:333053 is C22H37ClN2O3.
What is the molecular weight of RefChem:333053?
The molecular weight of RefChem:333053 is 412.24927 g/mol.
Where can I buy RefChem:333053?
You can request a quote for RefChem:333053 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:333053?
Yes, CoreyChem provides custom synthesis services for RefChem:333053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.