NCIOpen2_008105
TL;DR: NCIOpen2_008105 (CAS 6949-25-3) is a chemical compound with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dimethylamino)ethyl]-3a,7a-dimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: NCIOpen2_008105, 2-dimethylaminoethyl(dimethyl)[?]dione, 2-(2-(Dimethylamino)ethyl)-3a,7a-dimethylhexahydro-1H-4,7-epoxyisoindole-1,3-dione, 2-[2-(Dimethylamino)ethyl]-3a,7a-dimethylhexahydro-1H-4,7-epoxyisoindole-1,3-dione
| Molecular Formula | C14H22N2O3 |
|---|---|
| Molecular Weight | 266.16 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.16306 |
| Heavy Atoms | 19 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 6949-25-3 |
|---|---|
| SMILES | CC12C3CCC(C1(C(=O)N(C2=O)CCN(C)C)C)O3 |
| InChIKey | VCTWBJRNMQSDPF-UHFFFAOYSA-N |
Product Overview
NCIOpen2_008105 (CAS 6949-25-3), with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol. IUPAC: 2-[2-(dimethylamino)ethyl]-3a,7a-dimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of NCIOpen2_008105
Property Insights of NCIOpen2_008105
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_008105. With a topological polar surface area (TPSA) of 49.9 Ų, NCIOpen2_008105 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_008105 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_008105?
The CAS number of NCIOpen2_008105 is 6949-25-3.
What is the molecular formula of NCIOpen2_008105?
The molecular formula of NCIOpen2_008105 is C14H22N2O3.
What is the molecular weight of NCIOpen2_008105?
The molecular weight of NCIOpen2_008105 is 266.16 g/mol.
Where can I buy NCIOpen2_008105?
You can request a quote for NCIOpen2_008105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008105?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.