1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)-
TL;DR: 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)- (CAS 100310-78-9) is a chemical compound with molecular formula C13H19Cl2NO2 and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-methylazanium chloride
Also Known As: N-(2-Chloroethyl)-N-methyl-1,4-benzodioxan-2-ethylamine hydrochloride, 1,4-BENZODIOXAN, (2-((2-CHLOROETHYL)METHYLAMINO)ETHYL)-, 1,4-Benzodioxan-2-ethylamine, N-(2-chloroethyl)-N-methyl-, hydrochloride, 2-(N-(2-Chloroethyl)-N-methyl-2-aminoethyl)-1,4-benzodioxan hydrochloride, 2-chloro-n-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-n-methylethanaminium chloride
| Molecular Formula | C13H19Cl2NO2 |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | -2.03 |
| Topological Polar Surface Area | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.07928 |
| Heavy Atoms | 18 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 100310-78-9 |
|---|---|
| SMILES | C[NH+](CCC1COC2=CC=CC=C2O1)CCCl.[Cl-] |
| InChIKey | VTEFPXJPXZWZLO-UHFFFAOYSA-N |
Product Overview
1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)- (CAS 100310-78-9), with molecular formula C13H19Cl2NO2 and molecular weight 291.08 g/mol. IUPAC: 2-chloroethyl-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-methylazanium chloride.
Chemical Property Profile of 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)-
Property Insights of 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)-
The XLogP value of -2.03 indicates that 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)- has 1 hydrogen bond donor(s) and 3 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 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)-?
The CAS number of 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)- is 100310-78-9.
What is the molecular formula of 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)-?
The molecular formula of 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)- is C13H19Cl2NO2.
What is the molecular weight of 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)-?
The molecular weight of 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)- is 291.08 g/mol.
Where can I buy 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)-?
You can request a quote for 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.