RefChem:1071809
TL;DR: RefChem:1071809 (CAS 57462-76-7) is a chemical compound with molecular formula C14H21Cl2N2O2+ and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazanium;hydrochloride
Also Known As: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(3-dimethylaminopropyl)-2-methyl-, hydrochloride, 3-(6-Chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazaniumhydrochloride, 3-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazanium hydrochloride, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-[3-(dimethylamino)propyl]-2-methyl-, monohydrochloride, RefChem:1071809
| Molecular Formula | C14H21Cl2N2O2+ |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 1.41 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.09802 |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 57462-76-7 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC[NH+](C)C.Cl |
| InChIKey | JPMXRTULSFBSIT-UHFFFAOYSA-O |
Product Overview
RefChem:1071809 (CAS 57462-76-7), with molecular formula C14H21Cl2N2O2+ and molecular weight 319.10 g/mol. IUPAC: 3-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazanium;hydrochloride.
Chemical Property Profile of RefChem:1071809
Property Insights of RefChem:1071809
The XLogP value of 1.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071809. With a topological polar surface area (TPSA) of 34.0 Ų, RefChem:1071809 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071809 has 2 hydrogen bond donor(s) and 2 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:1071809?
The CAS number of RefChem:1071809 is 57462-76-7.
What is the molecular formula of RefChem:1071809?
The molecular formula of RefChem:1071809 is C14H21Cl2N2O2+.
What is the molecular weight of RefChem:1071809?
The molecular weight of RefChem:1071809 is 319.10 g/mol.
Where can I buy RefChem:1071809?
You can request a quote for RefChem:1071809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071809?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.