Web 2098
TL;DR: Web 2098 (CAS 105219-59-8) is a chemical compound with molecular formula C24H24ClN5O2S and molecular weight 481.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-(2-chlorophenyl)-13-cyclopropyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one
Also Known As: Web 2098, Morpholine, 4-(3-(4-(2-chlorophenyl)-9-cyclopropyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-, 3-[7-(2-Chlorophenyl)-13-cyclopropyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one, 1-Propanone, 3-[4-(2-chlorophenyl)-9-cyclopropyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-, 3-(4-(2-Chlorophenyl)-9-cyclopropyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-(4-morpholinyl)-1-propanone
| Molecular Formula | C24H24ClN5O2S |
|---|---|
| Molecular Weight | 481.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.1339 |
| Heavy Atoms | 33 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 105219-59-8 |
|---|---|
| SMILES | C1CC1C2=NN=C3N2C4=C(C=C(S4)CCC(=O)N5CCOCC5)C(=NC3)C6=CC=CC=C6Cl |
| InChIKey | JAOUCUCEKMTRCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Web 2098 (CAS 105219-59-8), with molecular formula C24H24ClN5O2S and molecular weight 481.13 g/mol. IUPAC: 3-[7-(2-chlorophenyl)-13-cyclopropyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one.
Chemical Property Profile of Web 2098
Property Insights of Web 2098
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Web 2098. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Web 2098. Following Lipinski's Rule of Five, Web 2098 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 Web 2098?
The CAS number of Web 2098 is 105219-59-8.
What is the molecular formula of Web 2098?
The molecular formula of Web 2098 is C24H24ClN5O2S.
What is the molecular weight of Web 2098?
The molecular weight of Web 2098 is 481.13 g/mol.
Where can I buy Web 2098?
You can request a quote for Web 2098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Web 2098?
Yes, KEHONG BIO provides custom synthesis services for Web 2098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.