RefChem:333107
TL;DR: RefChem:333107 (CAS 65720-15-2) is a chemical compound with molecular formula C22H37ClN2O3 and molecular weight 412.25 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-hexoxyphenyl)carbamate chloride
Also Known As: Carbamic acid, (2-(hexyloxy)phenyl)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochloride, Carbanilic acid, o-(hexyloxy)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride, o-(Hexyloxy)carbanilic acid 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochloride, 3-(azepan-1-ium-1-yl)propyl N-(2-hexoxyphenyl)carbamate chloride
| Molecular Formula | C22H37ClN2O3 |
|---|---|
| Molecular Weight | 412.25 g/mol |
| LogP | 1.05 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 412.24927 |
| Heavy Atoms | 28 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 65720-15-2 |
|---|---|
| SMILES | CCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-] |
| InChIKey | HLNZDKCCWKGODW-UHFFFAOYSA-N |
Product Overview
RefChem:333107 (CAS 65720-15-2), with molecular formula C22H37ClN2O3 and molecular weight 412.25 g/mol. IUPAC: 3-(azepan-1-ium-1-yl)propyl N-(2-hexoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:333107
Property Insights of RefChem:333107
The XLogP value of 1.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333107. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:333107 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333107 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:333107?
The CAS number of RefChem:333107 is 65720-15-2.
What is the molecular formula of RefChem:333107?
The molecular formula of RefChem:333107 is C22H37ClN2O3.
What is the molecular weight of RefChem:333107?
The molecular weight of RefChem:333107 is 412.25 g/mol.
Where can I buy RefChem:333107?
You can request a quote for RefChem:333107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333107?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.