2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
TL;DR: 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) (CAS 60558-10-3) is a chemical compound with molecular formula C19H31ClN2O3 and molecular weight 370.20 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-butoxyphenyl)carbamate chloride
Also Known As: Carbanilic acid, p-butoxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride, 2-(azepan-1-ium-1-yl)ethyl N-(4-butoxyphenyl)carbamate chloride, 2-(Hexahydro-1H-azepin-1-yl)ethyl p-butoxycarbanilate hydrochloride, p-Butoxycarbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride, 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
| Molecular Formula | C19H31ClN2O3 |
|---|---|
| Molecular Weight | 370.20 g/mol |
| LogP | -0.12 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 370.20233 |
| Heavy Atoms | 25 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 60558-10-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-] |
| InChIKey | RSCKXXQRUKOQEA-UHFFFAOYSA-N |
Product Overview
2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) (CAS 60558-10-3), with molecular formula C19H31ClN2O3 and molecular weight 370.20 g/mol. IUPAC: 2-(azepan-1-ium-1-yl)ethyl N-(4-butoxyphenyl)carbamate chloride.
Chemical Property Profile of 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
Property Insights of 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
The XLogP value of -0.12 indicates that 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) 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, 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) 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 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)?
The CAS number of 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) is 60558-10-3.
What is the molecular formula of 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)?
The molecular formula of 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) is C19H31ClN2O3.
What is the molecular weight of 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)?
The molecular weight of 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) is 370.20 g/mol.
Where can I buy 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)?
You can request a quote for 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Azepan-1-yl)ethyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.