RefChem:336980
TL;DR: RefChem:336980 (CAS 86640-26-8) is a chemical compound with molecular formula C21H25ClN2O2 and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone;hydrochloride
Also Known As: Dibenz(b,e)(1,4)oxazepine, 5,11-dihydro-5-acetyl-11-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, (+-)-, 1-[6-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride, 1-{11-[2-(Pyrrolidin-1-yl)ethyl]dibenzo[b,e][1,4]oxazepin-5(11H)-yl}ethan-1-one--hydrogen chloride (1/1), RefChem:336980
| Molecular Formula | C21H25ClN2O2 |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 4.7124 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.16046 |
| Heavy Atoms | 26 |
| Complexity | 774.1113 |
Chemical Identifiers
| CAS Number | 86640-26-8 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2C(OC3=CC=CC=C31)CCN4CCCC4.Cl |
Product Overview
RefChem:336980 (CAS 86640-26-8), with molecular formula C21H25ClN2O2 and molecular weight 372.16 g/mol. IUPAC: 1-[6-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone;hydrochloride.
Chemical Property Profile of RefChem:336980
Property Insights of RefChem:336980
The XLogP value of 4.7124 indicates that RefChem:336980 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, RefChem:336980 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336980 has 0 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:336980?
The CAS number of RefChem:336980 is 86640-26-8.
What is the molecular formula of RefChem:336980?
The molecular formula of RefChem:336980 is C21H25ClN2O2.
What is the molecular weight of RefChem:336980?
The molecular weight of RefChem:336980 is 372.16 g/mol.
Where can I buy RefChem:336980?
You can request a quote for RefChem:336980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336980?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.