RefChem:333116
TL;DR: RefChem:333116 (CAS 65720-17-4) is a chemical compound with molecular formula C24H41ClN2O3 and molecular weight 440.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ium-1-yl)propyl N-(2-octoxyphenyl)carbamate chloride
Also Known As: Carbamic acid, (2-(octyloxy)phenyl)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochloride, Carbanilic acid, o-(octyloxy)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride, o-(Octyloxy)carbanilic acid 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochloride, 3-(azepan-1-ium-1-yl)propyl N-(2-octoxyphenyl)carbamate chloride, Carbamic acid, [2-(octyloxy)phenyl]-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, monohydrochloride
| Molecular Formula | C24H41ClN2O3 |
|---|---|
| Molecular Weight | 440.28 g/mol |
| LogP | 1.83 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 440.28058 |
| Heavy Atoms | 30 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 65720-17-4 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-] |
| InChIKey | LDYSIRHQDBOJCM-UHFFFAOYSA-N |
Product Overview
RefChem:333116 (CAS 65720-17-4), with molecular formula C24H41ClN2O3 and molecular weight 440.28 g/mol. IUPAC: 3-(azepan-1-ium-1-yl)propyl N-(2-octoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:333116
Property Insights of RefChem:333116
The XLogP value of 1.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333116. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:333116 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333116 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:333116?
The CAS number of RefChem:333116 is 65720-17-4.
What is the molecular formula of RefChem:333116?
The molecular formula of RefChem:333116 is C24H41ClN2O3.
What is the molecular weight of RefChem:333116?
The molecular weight of RefChem:333116 is 440.28 g/mol.
Where can I buy RefChem:333116?
You can request a quote for RefChem:333116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333116?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.