AB00106586-01
TL;DR: AB00106586-01 (CAS 428478-79-9) is a chemical compound with molecular formula C18H15ClN4O2S and molecular weight 386.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
Also Known As: AB00106586-01, 1-{5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-3-(2-methoxyphenyl)urea, (E)-1-(5-(2-chlorostyryl)-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea, 1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea, N-{5-[2-(2-chlorophenyl)vinyl]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxyphenyl)urea
| Molecular Formula | C18H15ClN4O2S |
|---|---|
| Molecular Weight | 386.06 g/mol |
| LogP | 5.0145 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.06042 |
| Heavy Atoms | 26 |
| Complexity | 942.2003 |
Chemical Identifiers
| CAS Number | 428478-79-9 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)/C=C/C3=CC=CC=C3Cl |
Product Overview
AB00106586-01 (CAS 428478-79-9), with molecular formula C18H15ClN4O2S and molecular weight 386.06 g/mol. IUPAC: 1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea.
Chemical Property Profile of AB00106586-01
Property Insights of AB00106586-01
The XLogP value of 5.0145 indicates that AB00106586-01 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 AB00106586-01. Following Lipinski's Rule of Five, AB00106586-01 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 AB00106586-01?
The CAS number of AB00106586-01 is 428478-79-9.
What is the molecular formula of AB00106586-01?
The molecular formula of AB00106586-01 is C18H15ClN4O2S.
What is the molecular weight of AB00106586-01?
The molecular weight of AB00106586-01 is 386.06 g/mol.
Where can I buy AB00106586-01?
You can request a quote for AB00106586-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106586-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106586-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.