2-Iodo-Isopropylidene-NECA
TL;DR: 2-Iodo-Isopropylidene-NECA (CAS 162936-24-5) is a chemical compound with molecular formula C15H19IN6O4 and molecular weight 474.05124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,4R,6S,6aS)-4-(6-amino-2-iodopurin-9-yl)-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
Also Known As: 2-Iodo-Isopropylidene-NECA, 2-Iodo-5'-ethylcarboxamido-2',3'-O-isopropylidineadenosine, (3Ar,4R,6S,6aS)-4-(6-amino-2-iodopurin-9-yl)-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide, 5'-Ethylcarboxamido-2-iodo-2',3'-O-isopropylideneadenosine, (3aS,4S,6R,6aR)-6-(6-amino-2-iodo-9H-purin-9-yl)-N-ethyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
Technical Specifications
| Molecular Formula | C15H19IN6O4 |
| Molecular Weight | 474.05124 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.05124 Da |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
| SMILES | CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C(N=C(N=C43)I)N)OC(O2)(C)C |
| InChIKey | SRBUDLXECXRPCA-LOKDSWTASA-N |
Chemical Property Profile of 2-Iodo-Isopropylidene-NECA
Property Insights of 2-Iodo-Isopropylidene-NECA
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodo-Isopropylidene-NECA. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Iodo-Isopropylidene-NECA. Following Lipinski's Rule of Five, 2-Iodo-Isopropylidene-NECA has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Iodo-Isopropylidene-NECA?
The CAS number of 2-Iodo-Isopropylidene-NECA is 162936-24-5.
What is the molecular formula of 2-Iodo-Isopropylidene-NECA?
The molecular formula of 2-Iodo-Isopropylidene-NECA is C15H19IN6O4.
What is the molecular weight of 2-Iodo-Isopropylidene-NECA?
The molecular weight of 2-Iodo-Isopropylidene-NECA is 474.05124 g/mol.
Where can I buy 2-Iodo-Isopropylidene-NECA?
You can request a quote for 2-Iodo-Isopropylidene-NECA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Iodo-Isopropylidene-NECA?
Yes, CoreyChem provides custom synthesis services for 2-Iodo-Isopropylidene-NECA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.