RefChem:1067353
TL;DR: RefChem:1067353 (CAS 69159-31-5) is a chemical compound with molecular formula C40H44N4O6 and molecular weight 676.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methylcyclobutan-1-amine);(E)-but-2-enedioic acid
Also Known As: C18H20N2O.1/2C4H4O4, C18-H20-N2-O.1/2C4-H4-O4, 3-Azetidinamine, 1-(6,11-dihydrodibenz(b,e)oxepin-11-yl)-N-methyl-, (+)-, trans-2-butenedioate (2:1), 3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methylcyclobutan-1-amine; (E)-but-2-enedioic acid, RefChem:1067353
| Molecular Formula | C40H44N4O6 |
|---|---|
| Molecular Weight | 676.33 g/mol |
| LogP | 6.9056 |
| Topological Polar Surface Area | 151.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 676.3261 |
| Heavy Atoms | 50 |
| Complexity | 1651.1161 |
Chemical Identifiers
| CAS Number | 69159-31-5 |
|---|---|
| SMILES | CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1067353 (CAS 69159-31-5), with molecular formula C40H44N4O6 and molecular weight 676.33 g/mol. IUPAC: bis(3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methylcyclobutan-1-amine);(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1067353
Property Insights of RefChem:1067353
The XLogP value of 6.9056 indicates that RefChem:1067353 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.58 Ų indicates high polarity, suggesting RefChem:1067353 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1067353 has 4 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:1067353?
The CAS number of RefChem:1067353 is 69159-31-5.
What is the molecular formula of RefChem:1067353?
The molecular formula of RefChem:1067353 is C40H44N4O6.
What is the molecular weight of RefChem:1067353?
The molecular weight of RefChem:1067353 is 676.33 g/mol.
Where can I buy RefChem:1067353?
You can request a quote for RefChem:1067353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067353?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.