RefChem:1083285
TL;DR: RefChem:1083285 (CAS 86640-30-4) is a chemical compound with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-dimethyl-2-(11-methyl-6H-benzo[c][1,5]benzoxazepin-6-yl)ethanamine
Also Known As: dl-11-(2-N-Dimethylaminoethyl)-5-methyl-dibenzo(b,e)(1,4)oxazepine fumarate, Dibenz(b,e)(1,4)oxazepine-11-ethanamine, 5,11-dihydro-N,N,5-trimethyl-, (+-)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; N,N-dimethyl-2-(11-methyl-6H-benzo[c][1,5]benzoxazepin-6-yl)ethanamine, RefChem:1083285
| Molecular Formula | C22H26N2O5 |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 3.5515 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.18417 |
| Heavy Atoms | 29 |
| Complexity | 863.0113 |
Chemical Identifiers
| CAS Number | 86640-30-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(OC3=CC=CC=C31)CCN(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1083285 (CAS 86640-30-4), with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dimethyl-2-(11-methyl-6H-benzo[c][1,5]benzoxazepin-6-yl)ethanamine.
Chemical Property Profile of RefChem:1083285
Property Insights of RefChem:1083285
The XLogP value of 3.5515 indicates that RefChem:1083285 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083285. Following Lipinski's Rule of Five, RefChem:1083285 has 2 hydrogen bond donor(s) and 5 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:1083285?
The CAS number of RefChem:1083285 is 86640-30-4.
What is the molecular formula of RefChem:1083285?
The molecular formula of RefChem:1083285 is C22H26N2O5.
What is the molecular weight of RefChem:1083285?
The molecular weight of RefChem:1083285 is 398.18 g/mol.
Where can I buy RefChem:1083285?
You can request a quote for RefChem:1083285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083285?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.