RefChem:1081138
TL;DR: RefChem:1081138 (CAS 60558-07-8) is a chemical compound with molecular formula C18H29ClN2O3 and molecular weight 356.19 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-(4-propoxyphenyl)carbamate chloride
Also Known As: Carbanilic acid, p-propoxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride, 2-(azepan-1-ium-1-yl)ethyl N-(4-propoxyphenyl)carbamate chloride, p-Propoxycarbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride, RefChem:1081138
| Molecular Formula | C18H29ClN2O3 |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | -0.51 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.18668 |
| Heavy Atoms | 24 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 60558-07-8 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-] |
| InChIKey | WWQCFLZZCHVAFN-UHFFFAOYSA-N |
Product Overview
RefChem:1081138 (CAS 60558-07-8), with molecular formula C18H29ClN2O3 and molecular weight 356.19 g/mol. IUPAC: 2-(azepan-1-ium-1-yl)ethyl N-(4-propoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1081138
Property Insights of RefChem:1081138
The XLogP value of -0.51 indicates that RefChem:1081138 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:1081138 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081138 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:1081138?
The CAS number of RefChem:1081138 is 60558-07-8.
What is the molecular formula of RefChem:1081138?
The molecular formula of RefChem:1081138 is C18H29ClN2O3.
What is the molecular weight of RefChem:1081138?
The molecular weight of RefChem:1081138 is 356.19 g/mol.
Where can I buy RefChem:1081138?
You can request a quote for RefChem:1081138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081138?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.