3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate
TL;DR: 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate (CAS 67031-47-4) is a chemical compound with molecular formula C36H34N4O9 and molecular weight 666.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(6-[(E)-2-(4-nitrophenyl)ethenyl]-3,4-dihydro-2H-1,5-benzoxazocin-3-ol);hydrate
Also Known As: C18H16N2O4.1/2H2O, 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate, C18-H16-N2-O4.1/2H2-O, 2H-1,5-BENZOXAZOCIN-3-OL, 3,4-DIHYDRO-6-(p-NITROSTYRYL)-, HEMIHYDRATE, 2H-1,5-Benzoxazocine, 3,4-dihydro-3-hydroxy-6-(p-nitrostyryl)-, hemihydrate
| Molecular Formula | C36H34N4O9 |
|---|---|
| Molecular Weight | 666.23 g/mol |
| LogP | 4.8765 |
| Topological Polar Surface Area | 201.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 666.2326 |
| Heavy Atoms | 49 |
| Complexity | 1733.3552 |
Chemical Identifiers
| CAS Number | 67031-47-4 |
|---|---|
| SMILES | C1N=C(C2=CC=CC=C2OCC1O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-].C1N=C(C2=CC=CC=C2OCC1O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-].O |
Product Overview
3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate (CAS 67031-47-4), with molecular formula C36H34N4O9 and molecular weight 666.23 g/mol. IUPAC: bis(6-[(E)-2-(4-nitrophenyl)ethenyl]-3,4-dihydro-2H-1,5-benzoxazocin-3-ol);hydrate.
Chemical Property Profile of 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate
Property Insights of 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate
The XLogP value of 4.8765 indicates that 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.42 Ų indicates high polarity, suggesting 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate?
The CAS number of 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate is 67031-47-4.
What is the molecular formula of 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate?
The molecular formula of 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate is C36H34N4O9.
What is the molecular weight of 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate?
The molecular weight of 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate is 666.23 g/mol.
Where can I buy 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate?
You can request a quote for 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-3-hydroxy-6-(p-nitrostyryl)-1,5-benzoxazocine hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.