RefChem:333105
TL;DR: RefChem:333105 (CAS 60558-14-7) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-ium-1-yl)ethyl N-(2-hexoxyphenyl)carbamate chloride
Also Known As: Carbanilic acid, o-(hexyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride, 2-(Hexahydro-1H-azepin-1-yl)ethyl o-(hexyloxy)carbanilate hydrochloride, 2-(azepan-1-ium-1-yl)ethyl N-(2-hexoxyphenyl)carbamate chloride, o-(Hexyloxy)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride, RefChem:333105
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 60558-14-7 |
|---|---|
| SMILES | CCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.[Cl-] |
| InChIKey | KVGZBJCHPHMRDY-UHFFFAOYSA-N |
Product Overview
RefChem:333105 (CAS 60558-14-7), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: 2-(azepan-1-ium-1-yl)ethyl N-(2-hexoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:333105
Property Insights of RefChem:333105
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333105. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:333105 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333105 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
Frequently Asked Questions
What is the CAS number of RefChem:333105?
The CAS number of RefChem:333105 is 60558-14-7.
What is the molecular formula of RefChem:333105?
The molecular formula of RefChem:333105 is C21H35ClN2O3.
What is the molecular weight of RefChem:333105?
The molecular weight of RefChem:333105 is 398.23 g/mol.
Where can I buy RefChem:333105?
You can request a quote for RefChem:333105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333105?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.