RefChem:336981
TL;DR: RefChem:336981 (CAS 86640-25-7) is a chemical compound with molecular formula C19H23ClN2O2 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[2-(dimethylamino)ethyl]-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone;hydrochloride
Also Known As: dl-11-(2-N-Dimethylaminoethyl)-5-acetyl-dibenzo(b,e)(1,4)oxazepine hydrochloride, Dibenz(b,e)(1,4)oxazepine-11-ethanamine, 5,11-dihydro-5-acetyl-N,N-dimethyl-, monohydrochloride, (+-)-, 1-[6-(2-dimethylaminoethyl)-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride, 1-{11-[2-(Dimethylamino)ethyl]dibenzo[b,e][1,4]oxazepin-5(11H)-yl}ethan-1-one--hydrogen chloride (1/1), RefChem:336981
| Molecular Formula | C19H23ClN2O2 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 4.1782 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.1448 |
| Heavy Atoms | 24 |
| Complexity | 718.0179 |
Chemical Identifiers
| CAS Number | 86640-25-7 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2C(OC3=CC=CC=C31)CCN(C)C.Cl |
Product Overview
RefChem:336981 (CAS 86640-25-7), with molecular formula C19H23ClN2O2 and molecular weight 346.14 g/mol. IUPAC: 1-[6-[2-(dimethylamino)ethyl]-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone;hydrochloride.
Chemical Property Profile of RefChem:336981
Property Insights of RefChem:336981
The XLogP value of 4.1782 indicates that RefChem:336981 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:336981 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336981 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:336981?
The CAS number of RefChem:336981 is 86640-25-7.
What is the molecular formula of RefChem:336981?
The molecular formula of RefChem:336981 is C19H23ClN2O2.
What is the molecular weight of RefChem:336981?
The molecular weight of RefChem:336981 is 346.14 g/mol.
Where can I buy RefChem:336981?
You can request a quote for RefChem:336981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336981?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.