AB00106680-01
TL;DR: AB00106680-01 (CAS 428482-87-5) is a chemical compound with molecular formula C17H14ClFN4OS2 and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
Also Known As: AB00106680-01, 1-(5-(((4-chlorobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea, 1-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea, 1-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea, N-(5-{[(4-chlorobenzyl)thio]methyl}-1,3,4-thiadiazol-2-yl)-N'-(2-fluorophenyl)urea
| Molecular Formula | C17H14ClFN4OS2 |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 5.408 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.02817 |
| Heavy Atoms | 26 |
| Complexity | 888.4792 |
Chemical Identifiers
| CAS Number | 428482-87-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)NC2=NN=C(S2)CSCC3=CC=C(C=C3)Cl)F |
Product Overview
AB00106680-01 (CAS 428482-87-5), with molecular formula C17H14ClFN4OS2 and molecular weight 408.03 g/mol. IUPAC: 1-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea.
Chemical Property Profile of AB00106680-01
Property Insights of AB00106680-01
The XLogP value of 5.408 indicates that AB00106680-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00106680-01. Following Lipinski's Rule of Five, AB00106680-01 has 2 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 AB00106680-01?
The CAS number of AB00106680-01 is 428482-87-5.
What is the molecular formula of AB00106680-01?
The molecular formula of AB00106680-01 is C17H14ClFN4OS2.
What is the molecular weight of AB00106680-01?
The molecular weight of AB00106680-01 is 408.03 g/mol.
Where can I buy AB00106680-01?
You can request a quote for AB00106680-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106680-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106680-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.