NCIOpen2_002344
TL;DR: NCIOpen2_002344 (CAS 94538-67-7) is a chemical compound with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methoxyphenyl)methylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: NCIOpen2_002344, 2-[(E)-(2-methoxyphenyl)methylideneamino]-3a,4,7,7a-tetrahyd, 2-[(2-methoxybenzylidene)amino]-3a,4,7,7a-tetrahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione, 2-{[(2-Methoxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
| Molecular Formula | C16H14N2O4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.09537 |
| Heavy Atoms | 22 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 94538-67-7 |
|---|---|
| SMILES | COC1=CC=CC=C1C=NN2C(=O)C3C4C=CC(C3C2=O)O4 |
| InChIKey | UTPFDKXWTHZKKP-UHFFFAOYSA-N |
Product Overview
NCIOpen2_002344 (CAS 94538-67-7), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: 2-[(2-methoxyphenyl)methylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of NCIOpen2_002344
Property Insights of NCIOpen2_002344
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_002344. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_002344. Following Lipinski's Rule of Five, NCIOpen2_002344 has 0 hydrogen bond donor(s) and 5 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 NCIOpen2_002344?
The CAS number of NCIOpen2_002344 is 94538-67-7.
What is the molecular formula of NCIOpen2_002344?
The molecular formula of NCIOpen2_002344 is C16H14N2O4.
What is the molecular weight of NCIOpen2_002344?
The molecular weight of NCIOpen2_002344 is 298.10 g/mol.
Where can I buy NCIOpen2_002344?
You can request a quote for NCIOpen2_002344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_002344?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_002344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.