RefChem:297126
TL;DR: RefChem:297126 (CAS 57462-79-0) is a chemical compound with molecular formula C17H25Cl2N3O2 and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-methyl-4-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-1,4-benzoxazin-3-one chloride
Also Known As: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(3-(4-methylpiperazinyl)propyl)-, hydrochloride, 6-chloro-2-methyl-4-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-1,4-benzoxazin-3-one chloride, 4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-6-CHLORO-2-METHYL-4-(3-(4-METHYLPIPERAZINYL, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-4-[3-(4-methyl-1-piperazinyl)propyl]-, monohydrochloride, RefChem:297126
| Molecular Formula | C17H25Cl2N3O2 |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | -2.32 |
| Topological Polar Surface Area | 37.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.1324 |
| Heavy Atoms | 24 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 57462-79-0 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC[NH+]3CCN(CC3)C.[Cl-] |
| InChIKey | HDESCHQXZHMCDB-UHFFFAOYSA-N |
Product Overview
RefChem:297126 (CAS 57462-79-0), with molecular formula C17H25Cl2N3O2 and molecular weight 373.13 g/mol. IUPAC: 6-chloro-2-methyl-4-[3-(4-methylpiperazin-1-ium-1-yl)propyl]-1,4-benzoxazin-3-one chloride.
Chemical Property Profile of RefChem:297126
Property Insights of RefChem:297126
The XLogP value of -2.32 indicates that RefChem:297126 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.2 Ų, RefChem:297126 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:297126 has 1 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:297126?
The CAS number of RefChem:297126 is 57462-79-0.
What is the molecular formula of RefChem:297126?
The molecular formula of RefChem:297126 is C17H25Cl2N3O2.
What is the molecular weight of RefChem:297126?
The molecular weight of RefChem:297126 is 373.13 g/mol.
Where can I buy RefChem:297126?
You can request a quote for RefChem:297126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297126?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.