RefChem:297121
TL;DR: RefChem:297121 (CAS 57462-68-7) is a chemical compound with molecular formula C15H20Cl2N2O2 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride
Also Known As: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride, 6-Chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-onechloride, 4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-6-CHLORO-2-METHYL-4-(2-(1-PYRROLIDINYL)ETHY, 6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-4-[2-(1-pyrrolidinyl)ethyl]-, monohydrochloride
| Molecular Formula | C15H20Cl2N2O2 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | -1.86 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.09018 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 57462-68-7 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC[NH+]3CCCC3.[Cl-] |
| InChIKey | DAHSCMLJGRYAKQ-UHFFFAOYSA-N |
Product Overview
RefChem:297121 (CAS 57462-68-7), with molecular formula C15H20Cl2N2O2 and molecular weight 330.09 g/mol. IUPAC: 6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride.
Chemical Property Profile of RefChem:297121
Property Insights of RefChem:297121
The XLogP value of -1.86 indicates that RefChem:297121 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:297121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:297121 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:297121?
The CAS number of RefChem:297121 is 57462-68-7.
What is the molecular formula of RefChem:297121?
The molecular formula of RefChem:297121 is C15H20Cl2N2O2.
What is the molecular weight of RefChem:297121?
The molecular weight of RefChem:297121 is 330.09 g/mol.
Where can I buy RefChem:297121?
You can request a quote for RefChem:297121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297121?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.