![6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium structure](/static/products/6706/6706-67-8.webp)
6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium
TL;DR: 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium (CAS 6706-67-8) is a chemical compound with molecular formula C17H18Cl2NO+ and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium
Also Known As: 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium
| Molecular Formula | C17H18Cl2NO+ |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 3.54524 |
| Topological Polar Surface Area | 13.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.07654 |
| Heavy Atoms | 21 |
| Complexity | 667.4806 |
Chemical Identifiers
| CAS Number | 6706-67-8 |
|---|---|
| SMILES | CC1=CC2=C(C[NH+](CO2)CC3=CC=C(C=C3)Cl)C(=C1Cl)C |
Product Overview
6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium (CAS 6706-67-8), with molecular formula C17H18Cl2NO+ and molecular weight 322.08 g/mol. IUPAC: 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium.
Chemical Property Profile of 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium
Property Insights of 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium
The XLogP value of 3.54524 indicates that 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.67 Ų, 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium has 1 hydrogen bond donor(s) and 1 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 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium?
The CAS number of 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium is 6706-67-8.
What is the molecular formula of 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium?
The molecular formula of 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium is C17H18Cl2NO+.
What is the molecular weight of 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium?
The molecular weight of 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium is 322.08 g/mol.
Where can I buy 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium?
You can request a quote for 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.