ChemDiv1_023120
TL;DR: ChemDiv1_023120 (CAS 1192740-56-9) is a chemical compound with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (13E)-13-[(4-methoxyphenyl)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_023120, F1284-0382, (E)-methyl 2-(4-methoxybenzylidene)-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-(4-METHOXYBENZYLIDENE)-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-[(4-methoxyphenyl)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
| Molecular Formula | C23H20N2O5S |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 1.8676 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.10928 |
| Heavy Atoms | 31 |
| Complexity | 1357.8391 |
Chemical Identifiers
| CAS Number | 1192740-56-9 |
|---|---|
| SMILES | CC12C(C(C3=CC=CC=C3O1)N4C(=O)/C(=C\C5=CC=C(C=C5)OC)/SC4=N2)C(=O)OC |
Product Overview
ChemDiv1_023120 (CAS 1192740-56-9), with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol. IUPAC: methyl (13E)-13-[(4-methoxyphenyl)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_023120
Property Insights of ChemDiv1_023120
The XLogP value of 1.8676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023120. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023120. Following Lipinski's Rule of Five, ChemDiv1_023120 has 0 hydrogen bond donor(s) and 7 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_023120?
The CAS number of ChemDiv1_023120 is 1192740-56-9.
What is the molecular formula of ChemDiv1_023120?
The molecular formula of ChemDiv1_023120 is C23H20N2O5S.
What is the molecular weight of ChemDiv1_023120?
The molecular weight of ChemDiv1_023120 is 436.11 g/mol.
Where can I buy ChemDiv1_023120?
You can request a quote for ChemDiv1_023120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023120?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.