RefChem:297136
TL;DR: RefChem:297136 (CAS 57462-77-8) is a chemical compound with molecular formula C13H18Cl2N2O2 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazanium chloride
Also Known As: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(3-dimethylaminopropyl)-, hydrochloride, 3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazanium chloride, 4H-1,4-Benzoxazin-3-one, 6-chloro-2,3-dihydro-4-(3-dimethylaminopropyl)-, hydrochloride, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-[3-(dimethylamino)propyl]-, monohydrochloride, RefChem:297136
| Molecular Formula | C13H18Cl2N2O2 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.07452 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 57462-77-8 |
|---|---|
| SMILES | C[NH+](C)CCCN1C(=O)COC2=C1C=C(C=C2)Cl.[Cl-] |
| InChIKey | ZDQJMUIEQNGXTC-UHFFFAOYSA-N |
Product Overview
RefChem:297136 (CAS 57462-77-8), with molecular formula C13H18Cl2N2O2 and molecular weight 304.07 g/mol. IUPAC: 3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:297136
Property Insights of RefChem:297136
The XLogP value of -2.4 indicates that RefChem:297136 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, RefChem:297136 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:297136 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:297136?
The CAS number of RefChem:297136 is 57462-77-8.
What is the molecular formula of RefChem:297136?
The molecular formula of RefChem:297136 is C13H18Cl2N2O2.
What is the molecular weight of RefChem:297136?
The molecular weight of RefChem:297136 is 304.07 g/mol.
Where can I buy RefChem:297136?
You can request a quote for RefChem:297136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297136?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.