2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 430428-96-9) is a chemical compound with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, AE-848/32189002, F0876-0038, 4-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione, 2-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C18H18N2O6 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.1165 |
| Heavy Atoms | 26 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 430428-96-9 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C(CO)C(C4=CC=C(C=C4)[N+](=O)[O-])O |
| InChIKey | LBCYYMHCYKZZAX-UHFFFAOYSA-N |
Product Overview
2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 430428-96-9), with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol. IUPAC: 4-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione has 2 hydrogen bond donor(s) and 6 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 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 430428-96-9.
What is the molecular formula of 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C18H18N2O6.
What is the molecular weight of 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 358.12 g/mol.
Where can I buy 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.