RefChem:227838
TL;DR: RefChem:227838 (CAS 96401-69-3) is a chemical compound with molecular formula C16H22ClNO3 and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-4-(morpholin-4-ium-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(morpholinomethyl)-, hydrochloride, 3,4-Dihydro-7-methyl-4-(morpholinomethyl)-1-benzoxepin-5(2H)-one hydrochloride, 7-methyl-4-(morpholin-4-ium-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride, RefChem:227838
| Molecular Formula | C16H22ClNO3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.1288 |
| Heavy Atoms | 21 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 96401-69-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCOCC3.[Cl-] |
| InChIKey | AMAWHFYTMYKFMA-UHFFFAOYSA-N |
Product Overview
RefChem:227838 (CAS 96401-69-3), with molecular formula C16H22ClNO3 and molecular weight 311.13 g/mol. IUPAC: 7-methyl-4-(morpholin-4-ium-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride.
Chemical Property Profile of RefChem:227838
Property Insights of RefChem:227838
The XLogP value of -2.5 indicates that RefChem:227838 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:227838 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227838 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:227838?
The CAS number of RefChem:227838 is 96401-69-3.
What is the molecular formula of RefChem:227838?
The molecular formula of RefChem:227838 is C16H22ClNO3.
What is the molecular weight of RefChem:227838?
The molecular weight of RefChem:227838 is 311.13 g/mol.
Where can I buy RefChem:227838?
You can request a quote for RefChem:227838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227838?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.