Web 2105
TL;DR: Web 2105 (CAS 105219-69-0) is a chemical compound with molecular formula C21H20ClN5O2S and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-(2-chlorophenyl)-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 2105, Morpholine, 4-(3-(4-(2-chlorophenyl)-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-, 3-[7-(2-Chlorophenyl)-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, 3-[4-(2-Chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(morpholin-4-yl)propan-1-one, RefChem:194799
| Molecular Formula | C21H20ClN5O2S |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.10263 |
| Heavy Atoms | 30 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 105219-69-0 |
|---|---|
| SMILES | C1COCCN1C(=O)CCC2=CC3=C(S2)N4C=NN=C4CN=C3C5=CC=CC=C5Cl |
| InChIKey | FKULYJQHZKBYIP-UHFFFAOYSA-N |
Product Overview
Web 2105 (CAS 105219-69-0), with molecular formula C21H20ClN5O2S and molecular weight 441.10 g/mol. IUPAC: 3-[7-(2-chlorophenyl)-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 2105
Property Insights of Web 2105
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Web 2105. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Web 2105. Following Lipinski's Rule of Five, Web 2105 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 2105?
The CAS number of Web 2105 is 105219-69-0.
What is the molecular formula of Web 2105?
The molecular formula of Web 2105 is C21H20ClN5O2S.
What is the molecular weight of Web 2105?
The molecular weight of Web 2105 is 441.10 g/mol.
Where can I buy Web 2105?
You can request a quote for Web 2105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Web 2105?
Yes, KEHONG BIO provides custom synthesis services for Web 2105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.