ChemDiv1_021153
TL;DR: ChemDiv1_021153 (CAS 1192741-80-2) is a chemical compound with molecular formula C22H17FN2O4S and molecular weight 424.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (13E)-13-[(4-fluorophenyl)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_021153, (E)-methyl 2-(4-fluorobenzylidene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate, F1284-0386, methyl (13E)-13-[(4-fluorophenyl)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, METHYL (13E)-13-(4-FLUOROBENZYLIDENE)-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
| Molecular Formula | C22H17FN2O4S |
|---|---|
| Molecular Weight | 424.09 g/mol |
| LogP | 1.9981 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.0893 |
| Heavy Atoms | 30 |
| Complexity | 1344.6925 |
Chemical Identifiers
| CAS Number | 1192741-80-2 |
|---|---|
| SMILES | CC12C(C(C3=CC=CC=C3O1)N4C(=O)/C(=C\C5=CC=C(C=C5)F)/SC4=N2)C(=O)OC |
Product Overview
ChemDiv1_021153 (CAS 1192741-80-2), with molecular formula C22H17FN2O4S and molecular weight 424.09 g/mol. IUPAC: methyl (13E)-13-[(4-fluorophenyl)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.
Chemical Property Profile of ChemDiv1_021153
Property Insights of ChemDiv1_021153
The XLogP value of 1.9981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021153. The TPSA of 69.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021153. Following Lipinski's Rule of Five, ChemDiv1_021153 has 0 hydrogen bond donor(s) and 6 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 ChemDiv1_021153?
The CAS number of ChemDiv1_021153 is 1192741-80-2.
What is the molecular formula of ChemDiv1_021153?
The molecular formula of ChemDiv1_021153 is C22H17FN2O4S.
What is the molecular weight of ChemDiv1_021153?
The molecular weight of ChemDiv1_021153 is 424.09 g/mol.
Where can I buy ChemDiv1_021153?
You can request a quote for ChemDiv1_021153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021153?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.