AB00106555-01
TL;DR: AB00106555-01 (CAS 426252-86-0) 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-(2-fluorophenyl)-3-[5-[(3-methylphenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: AB00106555-01, 1-(2-fluorophenyl)-3-(5-{[(3-methylbenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)urea, 1-(2-fluorophenyl)-3-(5-(((3-methylbenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)urea, 1-(2-fluorophenyl)-3-[5-[(3-methylphenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]urea, N-(2-fluorophenyl)-N'-(5-{[(3-methylbenzyl)thio]methyl}-1,3,4-thiadiazol-2-yl)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 | 900.1574 |
Chemical Identifiers
| CAS Number | 426252-86-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSCC2=NN=C(S2)NC(=O)NC3=CC=CC=C3F |
Product Overview
AB00106555-01 (CAS 426252-86-0), with molecular formula C18H17FN4OS2 and molecular weight 388.08 g/mol. IUPAC: 1-(2-fluorophenyl)-3-[5-[(3-methylphenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of AB00106555-01
Property Insights of AB00106555-01
The XLogP value of 5.06302 indicates that AB00106555-01 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 AB00106555-01. Following Lipinski's Rule of Five, AB00106555-01 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 AB00106555-01?
The CAS number of AB00106555-01 is 426252-86-0.
What is the molecular formula of AB00106555-01?
The molecular formula of AB00106555-01 is C18H17FN4OS2.
What is the molecular weight of AB00106555-01?
The molecular weight of AB00106555-01 is 388.08 g/mol.
Where can I buy AB00106555-01?
You can request a quote for AB00106555-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106555-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106555-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.