![3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione structure](/static/products/102/1022346-66-2.png)
3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
TL;DR: 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1022346-66-2) is a chemical compound with molecular formula C29H29N3O6 and molecular weight 515.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-hexoxyphenyl)-3-(3-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-(4-(hexyloxy)phenyl)-3-(3-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(4-hexoxyphenyl)-3-(3-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-[4-(hexyloxy)phenyl]-3-(3-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C29H29N3O6 |
|---|---|
| Molecular Weight | 515.21 g/mol |
| LogP | 5.605 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 515.2056 |
| Heavy Atoms | 38 |
| Complexity | 1313.4034 |
Chemical Identifiers
| CAS Number | 1022346-66-2 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1022346-66-2), with molecular formula C29H29N3O6 and molecular weight 515.21 g/mol. IUPAC: 5-(4-hexoxyphenyl)-3-(3-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
Property Insights of 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
The XLogP value of 5.605 indicates that 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione. Following Lipinski's Rule of Five, 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione has 0 hydrogen bond donor(s) and 7 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-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The CAS number of 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1022346-66-2.
What is the molecular formula of 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular formula of 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C29H29N3O6.
What is the molecular weight of 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular weight of 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 515.21 g/mol.
Where can I buy 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
You can request a quote for 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-hexoxyphenyl)-8-(3-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.