AB00106693-01
TL;DR: AB00106693-01 (CAS 428483-50-5) is a chemical compound with molecular formula C18H17FN4OS2 and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
Also Known As: AB00106693-01, 1-(5-{[(4-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)urea, 1-[5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea, 1-(5-(((4-fluorobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea, 1-[(2Z)-5-{[(4-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methylphenyl)urea
| Molecular Formula | C18H17FN4OS2 |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 5.06302 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.0828 |
| Heavy Atoms | 26 |
| Complexity | 865.6574 |
Chemical Identifiers
| CAS Number | 428483-50-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CSCC3=CC=C(C=C3)F |
Product Overview
AB00106693-01 (CAS 428483-50-5), with molecular formula C18H17FN4OS2 and molecular weight 388.08 g/mol. IUPAC: 1-[5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea.
Chemical Property Profile of AB00106693-01
Property Insights of AB00106693-01
The XLogP value of 5.06302 indicates that AB00106693-01 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 AB00106693-01. Following Lipinski's Rule of Five, AB00106693-01 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 AB00106693-01?
The CAS number of AB00106693-01 is 428483-50-5.
What is the molecular formula of AB00106693-01?
The molecular formula of AB00106693-01 is C18H17FN4OS2.
What is the molecular weight of AB00106693-01?
The molecular weight of AB00106693-01 is 388.08 g/mol.
Where can I buy AB00106693-01?
You can request a quote for AB00106693-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106693-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106693-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.