Web 1175
TL;DR: Web 1175 (CAS 68221-71-6) is a chemical compound with molecular formula C14H8BrClN4OS and molecular weight 393.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-7-(2-chlorophenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10-tetraen-13-one
Also Known As: Web 1175, 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-9(8H)-one, 2-bromo-4-(2-chlorophenyl)-, 2-Bromo-4-(2-chlorophenyl)-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-9(8H)-one, 8-Bromo-6-(o-chlorophenyl)-4H-s-triazolo(3,4-c)thieno-(2,3-e)-1,4-diazepin-1-one, 9H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-9-one, 2-bromo-4-(2-chlorophenyl)-6,8-dihydro-
| Molecular Formula | C14H8BrClN4OS |
|---|---|
| Molecular Weight | 393.93 g/mol |
| LogP | 3.389 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 393.92908 |
| Heavy Atoms | 22 |
| Complexity | 971.3808 |
Chemical Identifiers
| CAS Number | 68221-71-6 |
|---|---|
| SMILES | C1C2=NNC(=O)N2C3=C(C=C(S3)Br)C(=N1)C4=CC=CC=C4Cl |
Product Overview
Web 1175 (CAS 68221-71-6), with molecular formula C14H8BrClN4OS and molecular weight 393.93 g/mol. IUPAC: 4-bromo-7-(2-chlorophenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10-tetraen-13-one.
Chemical Property Profile of Web 1175
Property Insights of Web 1175
The XLogP value of 3.389 indicates that Web 1175 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Web 1175. Following Lipinski's Rule of Five, Web 1175 has 1 hydrogen bond donor(s) and 4 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 1175?
The CAS number of Web 1175 is 68221-71-6.
What is the molecular formula of Web 1175?
The molecular formula of Web 1175 is C14H8BrClN4OS.
What is the molecular weight of Web 1175?
The molecular weight of Web 1175 is 393.93 g/mol.
Where can I buy Web 1175?
You can request a quote for Web 1175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Web 1175?
Yes, KEHONG BIO provides custom synthesis services for Web 1175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.