RefChem:1097256
TL;DR: RefChem:1097256 (CAS 70301-68-7) is a chemical compound with molecular formula C28H31N5O5 and molecular weight 517.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;5-(3,4-dimethylphenyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine
Also Known As: Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-2-(4-methyl-1-piperazinyl)-11-(3,4-xylyl)-, maleate, (E)-but-2-enedioic acid; 5-(3,4-dimethylphenyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine, RefChem:1097256
| Molecular Formula | C28H31N5O5 |
|---|---|
| Molecular Weight | 517.23 g/mol |
| LogP | 4.00104 |
| Topological Polar Surface Area | 119.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.23254 |
| Heavy Atoms | 38 |
| Complexity | 1335.211 |
Chemical Identifiers
| CAS Number | 70301-68-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CC3=CC=CC=C3OC4=NN=C(C=C42)N5CCN(CC5)C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097256 (CAS 70301-68-7), with molecular formula C28H31N5O5 and molecular weight 517.23 g/mol. IUPAC: (E)-but-2-enedioic acid;5-(3,4-dimethylphenyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine.
Chemical Property Profile of RefChem:1097256
Property Insights of RefChem:1097256
The XLogP value of 4.00104 indicates that RefChem:1097256 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.33 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097256. Following Lipinski's Rule of Five, RefChem:1097256 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097256?
The CAS number of RefChem:1097256 is 70301-68-7.
What is the molecular formula of RefChem:1097256?
The molecular formula of RefChem:1097256 is C28H31N5O5.
What is the molecular weight of RefChem:1097256?
The molecular weight of RefChem:1097256 is 517.23 g/mol.
Where can I buy RefChem:1097256?
You can request a quote for RefChem:1097256 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097256?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097256 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.