RefChem:1061445
TL;DR: RefChem:1061445 (CAS 60558-09-0) 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-(3-butoxyphenyl)carbamate chloride
Also Known As: Carbanilic acid, m-butoxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride, 2-(azepan-1-ium-1-yl)ethyl N-(3-butoxyphenyl)carbamate chloride, 2-(Hexahydro-1H-azepin-1-yl)ethyl m-butoxycarbanilate hydrochloride, m-Butoxycarbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride, 2-(Azepan-1-yl)ethyl hydrogen (3-butoxyphenyl)carbonimidate--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 | 344.0 |
Chemical Identifiers
| CAS Number | 60558-09-0 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-] |
| InChIKey | ZUIARVUMQPKBDY-UHFFFAOYSA-N |
Product Overview
RefChem:1061445 (CAS 60558-09-0), with molecular formula C19H31ClN2O3 and molecular weight 370.20 g/mol. IUPAC: 2-(azepan-1-ium-1-yl)ethyl N-(3-butoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1061445
Property Insights of RefChem:1061445
The XLogP value of -0.12 indicates that RefChem:1061445 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:1061445 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061445 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:1061445?
The CAS number of RefChem:1061445 is 60558-09-0.
What is the molecular formula of RefChem:1061445?
The molecular formula of RefChem:1061445 is C19H31ClN2O3.
What is the molecular weight of RefChem:1061445?
The molecular weight of RefChem:1061445 is 370.20 g/mol.
Where can I buy RefChem:1061445?
You can request a quote for RefChem:1061445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061445?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.