RefChem:333122
TL;DR: RefChem:333122 (CAS 68931-14-6) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 398.2336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(azepan-1-ium-1-yl)propyl N-(2-pentoxyphenyl)carbamate chloride
Also Known As: Carbamic acid, (2-(pentyloxy)phenyl)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochloride, Carbanilic acid, o-(pentyloxy)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride, o-(Pentyloxy)carbanilic acid 3-(hexahydro-1H-azepin-1-yl)propyl ester carbanilic acid, 3-(azepan-1-ium-1-yl)propyl N-(2-pentoxyphenyl)carbamate chloride
Technical Specifications
| Molecular Formula | C21H35ClN2O3 |
| Molecular Weight | 398.2336 g/mol |
| XLogP | 0.66 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 398.2336 Da |
| Heavy Atoms | 27 |
| Complexity | 370.0 |
| SMILES | CCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-] |
| InChIKey | ICVXFAIXKZIBLY-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:333122
Property Insights of RefChem:333122
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333122. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:333122 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333122 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:333122?
The CAS number of RefChem:333122 is 68931-14-6.
What is the molecular formula of RefChem:333122?
The molecular formula of RefChem:333122 is C21H35ClN2O3.
What is the molecular weight of RefChem:333122?
The molecular weight of RefChem:333122 is 398.2336 g/mol.
Where can I buy RefChem:333122?
You can request a quote for RefChem:333122 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:333122?
Yes, CoreyChem provides custom synthesis services for RefChem:333122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.