RefChem:220095
TL;DR: RefChem:220095 (CAS 100310-81-4) is a chemical compound with molecular formula C13H17Cl4NO2 and molecular weight 359.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl-[(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-ethylazanium chloride
Also Known As: N-(2-Chloroethyl)-6,7-dichloro-N-ethyl-1,4-benzodioxan-2-methylamine hydrochloride, 1,4-Benzodioxan-2-methylamine, N-(2-chloroethyl)-6,7-dichloro-N-ethyl-, hydrochloride, 2-(N-(2-Chloroethyl)-N-ethylaminomethyl)-6,7-dichloro-1,4-benzodioxan hydrochloride, 2-chloro-n-[(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-n-ethylethanaminium chloride, 2-chloroethyl-[(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-ethylazanium chloride
| Molecular Formula | C13H17Cl4NO2 |
|---|---|
| Molecular Weight | 359.00 g/mol |
| LogP | -0.72 |
| Topological Polar Surface Area | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.99838 |
| Heavy Atoms | 20 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 100310-81-4 |
|---|---|
| SMILES | CC[NH+](CCCl)CC1COC2=CC(=C(C=C2O1)Cl)Cl.[Cl-] |
| InChIKey | DAFGEIIXFSVRTJ-UHFFFAOYSA-N |
Product Overview
RefChem:220095 (CAS 100310-81-4), with molecular formula C13H17Cl4NO2 and molecular weight 359.00 g/mol. IUPAC: 2-chloroethyl-[(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-ethylazanium chloride.
Chemical Property Profile of RefChem:220095
Property Insights of RefChem:220095
The XLogP value of -0.72 indicates that RefChem:220095 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, RefChem:220095 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:220095 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 RefChem:220095?
The CAS number of RefChem:220095 is 100310-81-4.
What is the molecular formula of RefChem:220095?
The molecular formula of RefChem:220095 is C13H17Cl4NO2.
What is the molecular weight of RefChem:220095?
The molecular weight of RefChem:220095 is 359.00 g/mol.
Where can I buy RefChem:220095?
You can request a quote for RefChem:220095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:220095?
Yes, KEHONG BIO provides custom synthesis services for RefChem:220095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.