A1235/0056797
TL;DR: A1235/0056797 (CAS 331632-98-5) is a chemical compound with molecular formula C25H23N3O6 and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Also Known As: A1235/0056797, (E)-2-((3-methoxy-4-((4-nitrobenzyl)oxy)benzylidene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione, 2-{[(E)-{3-METHOXY-4-[(4-NITROBENZYL)OXY]PHENYL}METHYLENE]AMINO}-3A,4,7,7A-TETRAHYDRO-1H-4,7-ETHANOISOINDOLE-1,3(2H)-DIONE, 2-{[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione, 4-{[4-({4-nitrobenzyl}oxy)-3-methoxybenzylidene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
| Molecular Formula | C25H23N3O6 |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 3.7135 |
| Topological Polar Surface Area | 111.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.1587 |
| Heavy Atoms | 34 |
| Complexity | 1173.6317 |
Chemical Identifiers
| CAS Number | 331632-98-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/N2C(=O)C3C4CCC(C3C2=O)C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
A1235/0056797 (CAS 331632-98-5), with molecular formula C25H23N3O6 and molecular weight 461.16 g/mol. IUPAC: 4-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
Chemical Property Profile of A1235/0056797
Property Insights of A1235/0056797
The XLogP value of 3.7135 indicates that A1235/0056797 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A1235/0056797. Following Lipinski's Rule of Five, A1235/0056797 has 0 hydrogen bond donor(s) and 7 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 A1235/0056797?
The CAS number of A1235/0056797 is 331632-98-5.
What is the molecular formula of A1235/0056797?
The molecular formula of A1235/0056797 is C25H23N3O6.
What is the molecular weight of A1235/0056797?
The molecular weight of A1235/0056797 is 461.16 g/mol.
Where can I buy A1235/0056797?
You can request a quote for A1235/0056797 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1235/0056797?
Yes, KEHONG BIO provides custom synthesis services for A1235/0056797 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.