ChemDiv1_021197
TL;DR: ChemDiv1_021197 (CAS 1192740-68-3) is a chemical compound with molecular formula C22H17IN2O4S and molecular weight 531.99536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (13E)-13-[(3-iodophenyl)methylidene]-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraene-16-carboxylate
Also Known As: ChemDiv1_021197, F1284-0387, (E)-methyl 2-(3-iodobenzylidene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate, METHYL (13E)-13-(3-IODOBENZYLIDENE)-9-METHYL-14-OXO-8-OXA-12-THIA-10,15-DIAZATETRACYCLO[7.6.1.0~2,7~.0~11,15~]HEXADECA-2,4,6,10-TETRAENE-16-CARBOXYLATE, methyl (13E)-13-[(3-iodophenyl)methylidene]-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0^{2,7}.0^{11,15}]hexadeca-2,4,6,10-tetraene-16-carboxylate
Technical Specifications
| Molecular Formula | C22H17IN2O4S |
| Molecular Weight | 531.99536 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 531.99536 Da |
| Heavy Atoms | 30 |
| Complexity | 817.0 |
| SMILES | CC12C(C(C3=CC=CC=C3O1)N4C(=O)/C(=C\C5=CC(=CC=C5)I)/SC4=N2)C(=O)OC |
| InChIKey | DASNBTKJDYFXCB-LFIBNONCSA-N |
Chemical Property Profile of ChemDiv1_021197
Property Insights of ChemDiv1_021197
The XLogP value of 4.2 indicates that ChemDiv1_021197 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021197. Following Lipinski's Rule of Five, ChemDiv1_021197 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ChemDiv1_021197?
The CAS number of ChemDiv1_021197 is 1192740-68-3.
What is the molecular formula of ChemDiv1_021197?
The molecular formula of ChemDiv1_021197 is C22H17IN2O4S.
What is the molecular weight of ChemDiv1_021197?
The molecular weight of ChemDiv1_021197 is 531.99536 g/mol.
Where can I buy ChemDiv1_021197?
You can request a quote for ChemDiv1_021197 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv1_021197?
Yes, CoreyChem provides custom synthesis services for ChemDiv1_021197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.