AB00106227-01
TL;DR: AB00106227-01 (CAS 426249-69-6) is a chemical compound with molecular formula C18H18N4O2S2 and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyphenyl)-3-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: AB00106227-01, 1-(2-methoxyphenyl)-3-(5-{[(4-methylphenyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)urea, 1-(2-methoxyphenyl)-3-(5-((p-tolylthio)methyl)-1,3,4-thiadiazol-2-yl)urea, 1-(2-methoxyphenyl)-3-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]urea, N-(2-methoxyphenyl)-N'-(5-{[(4-methylphenyl)thio]methyl}-1,3,4-thiadiazol-2-yl)urea
| Molecular Formula | C18H18N4O2S2 |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 4.79142 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.08713 |
| Heavy Atoms | 26 |
| Complexity | 880.9074 |
Chemical Identifiers
| CAS Number | 426249-69-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)NC3=CC=CC=C3OC |
Product Overview
AB00106227-01 (CAS 426249-69-6), with molecular formula C18H18N4O2S2 and molecular weight 386.09 g/mol. IUPAC: 1-(2-methoxyphenyl)-3-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of AB00106227-01
Property Insights of AB00106227-01
The XLogP value of 4.79142 indicates that AB00106227-01 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 AB00106227-01. Following Lipinski's Rule of Five, AB00106227-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00106227-01?
The CAS number of AB00106227-01 is 426249-69-6.
What is the molecular formula of AB00106227-01?
The molecular formula of AB00106227-01 is C18H18N4O2S2.
What is the molecular weight of AB00106227-01?
The molecular weight of AB00106227-01 is 386.09 g/mol.
Where can I buy AB00106227-01?
You can request a quote for AB00106227-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106227-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106227-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.