NCIOpen2_002550
TL;DR: NCIOpen2_002550 (CAS 93045-63-7) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclohexylideneamino)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: NCIOpen2_002550, 2-(cyclohexylideneamino)-3a,4,7,7a-tetrahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione, N-Cyclohexylidenamino-7-oxa-bicyclo<2.2.1>hept-5-en-2,3-dicarbonsaeureimid, 2-(Cyclohexylideneamino)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione, 2-(cyclohexylideneamino)-3a,4,7,7a-tetrahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 93045-63-7 |
|---|---|
| SMILES | C1CCC(=NN2C(=O)C3C4C=CC(C3C2=O)O4)CC1 |
| InChIKey | JCNDJRBSMNGKTD-UHFFFAOYSA-N |
Product Overview
NCIOpen2_002550 (CAS 93045-63-7), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: 2-(cyclohexylideneamino)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of NCIOpen2_002550
Property Insights of NCIOpen2_002550
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_002550. With a topological polar surface area (TPSA) of 59.0 Ų, NCIOpen2_002550 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_002550 has 0 hydrogen bond donor(s) and 4 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_002550?
The CAS number of NCIOpen2_002550 is 93045-63-7.
What is the molecular formula of NCIOpen2_002550?
The molecular formula of NCIOpen2_002550 is C14H16N2O3.
What is the molecular weight of NCIOpen2_002550?
The molecular weight of NCIOpen2_002550 is 260.12 g/mol.
Where can I buy NCIOpen2_002550?
You can request a quote for NCIOpen2_002550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_002550?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_002550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.