AB00105933-01
TL;DR: AB00105933-01 (CAS 426246-38-0) is a chemical compound with molecular formula C18H17ClN4O2S2 and molecular weight 420.05 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-methoxyphenyl)urea
Also Known As: AB00105933-01, 1-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea, 1-(5-(((4-chlorobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea, N-(5-{[(4-chlorobenzyl)thio]methyl}-1,3,4-thiadiazol-2-yl)-N'-(2-methoxyphenyl)urea, 1-[(2E)-5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-methoxyphenyl)urea
| Molecular Formula | C18H17ClN4O2S2 |
|---|---|
| Molecular Weight | 420.05 g/mol |
| LogP | 5.2775 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.04816 |
| Heavy Atoms | 27 |
| Complexity | 902.3871 |
Chemical Identifiers
| CAS Number | 426246-38-0 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)CSCC3=CC=C(C=C3)Cl |
Product Overview
AB00105933-01 (CAS 426246-38-0), with molecular formula C18H17ClN4O2S2 and molecular weight 420.05 g/mol. IUPAC: 1-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea.
Chemical Property Profile of AB00105933-01
Property Insights of AB00105933-01
The XLogP value of 5.2775 indicates that AB00105933-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105933-01. Following Lipinski's Rule of Five, AB00105933-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00105933-01?
The CAS number of AB00105933-01 is 426246-38-0.
What is the molecular formula of AB00105933-01?
The molecular formula of AB00105933-01 is C18H17ClN4O2S2.
What is the molecular weight of AB00105933-01?
The molecular weight of AB00105933-01 is 420.05 g/mol.
Where can I buy AB00105933-01?
You can request a quote for AB00105933-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105933-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105933-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.