RefChem:333138
TL;DR: RefChem:333138 (CAS 38198-38-8) is a chemical compound with molecular formula C22H35ClN2O3 and molecular weight 410.2336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,2R)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(2-pentoxyphenyl)carbamate chloride
Also Known As: o-Pentyloxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride, Carbanilic acid, o-pentyloxy-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (E)-, [(1R,2R)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(2-pentoxyphenyl)carbamate chloride
Technical Specifications
| Molecular Formula | C22H35ClN2O3 |
| Molecular Weight | 410.2336 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.2336 Da |
| Heavy Atoms | 28 |
| Complexity | 439.0 |
| SMILES | CCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2CCCC[C@H]2[NH+]3CCCC3.[Cl-] |
| InChIKey | SJAMQFSTCUEEDS-GNGUGDOWSA-N |
Chemical Property Profile of RefChem:333138
Property Insights of RefChem:333138
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333138. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:333138 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333138 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:333138?
The CAS number of RefChem:333138 is 38198-38-8.
What is the molecular formula of RefChem:333138?
The molecular formula of RefChem:333138 is C22H35ClN2O3.
What is the molecular weight of RefChem:333138?
The molecular weight of RefChem:333138 is 410.2336 g/mol.
Where can I buy RefChem:333138?
You can request a quote for RefChem:333138 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:333138?
Yes, CoreyChem provides custom synthesis services for RefChem:333138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.