RefChem:333098
TL;DR: RefChem:333098 (CAS 60558-21-6) 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.
2-(azepan-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate chloride
Also Known As: Carbanilic acid, o-(heptyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride, 1H-Azepineethanol, hexahydro-, o-heptyloxycarbanilate, hydrochloride, 2-(azepan-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate chloride, o-(Heptyloxy)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride
Technical Specifications
| Molecular Formula | C22H37ClN2O3 |
| Molecular Weight | 412.24927 g/mol |
| XLogP | 1.05 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 412.24927 Da |
| Heavy Atoms | 28 |
| Complexity | 384.0 |
| SMILES | CCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.[Cl-] |
| InChIKey | RJFQUACFSCGTQE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:333098
Property Insights of RefChem:333098
The XLogP value of 1.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333098. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:333098 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333098 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:333098?
The CAS number of RefChem:333098 is 60558-21-6.
What is the molecular formula of RefChem:333098?
The molecular formula of RefChem:333098 is C22H37ClN2O3.
What is the molecular weight of RefChem:333098?
The molecular weight of RefChem:333098 is 412.24927 g/mol.
Where can I buy RefChem:333098?
You can request a quote for RefChem:333098 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:333098?
Yes, CoreyChem provides custom synthesis services for RefChem:333098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.