Web 2347
TL;DR: Web 2347 (CAS 114800-19-0) is a chemical compound with molecular formula C25H28ClN5OS and molecular weight 481.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-chlorophenyl)-3-methyl-N,N-dipropyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene-13-carboxamide
Also Known As: Web 2347, 6-(2-Chlorophenyl)-8,9-dihydro-1-methyl-N,N-dipropyl-4H,7H-cyclopenta(4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-8-carboxamide, WEB2347, WEB 2347, WEB-2347, 9-(2-Chlorophenyl)-3-methyl-N,N-dipropyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene-13-carboxamide, 6-(2-Chlorophenyl)-8,9-dihydro-1-methyl-N,N-dipropyl-4H,7H-c
| Molecular Formula | C25H28ClN5OS |
|---|---|
| Molecular Weight | 481.17 g/mol |
| LogP | 5.00502 |
| Topological Polar Surface Area | 63.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.17032 |
| Heavy Atoms | 33 |
| Complexity | 1237.6508 |
Chemical Identifiers
| CAS Number | 114800-19-0 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C1CC2=C(C1)SC3=C2C(=NCC4=NN=C(N43)C)C5=CC=CC=C5Cl |
Product Overview
Web 2347 (CAS 114800-19-0), with molecular formula C25H28ClN5OS and molecular weight 481.17 g/mol. IUPAC: 9-(2-chlorophenyl)-3-methyl-N,N-dipropyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene-13-carboxamide.
Chemical Property Profile of Web 2347
Property Insights of Web 2347
The XLogP value of 5.00502 indicates that Web 2347 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Web 2347. Following Lipinski's Rule of Five, Web 2347 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Web 2347?
The CAS number of Web 2347 is 114800-19-0.
What is the molecular formula of Web 2347?
The molecular formula of Web 2347 is C25H28ClN5OS.
What is the molecular weight of Web 2347?
The molecular weight of Web 2347 is 481.17 g/mol.
Where can I buy Web 2347?
You can request a quote for Web 2347 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Web 2347?
Yes, KEHONG BIO provides custom synthesis services for Web 2347 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.