AB00106601-01
TL;DR: AB00106601-01 (CAS 428479-22-5) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyphenyl)-3-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
Also Known As: AB00106601-01, 1-(2-methoxyphenyl)-3-(5-(o-tolyl)-1,3,4-thiadiazol-2-yl)urea, 1-(2-methoxyphenyl)-3-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]urea, N-(2-methoxyphenyl)-N'-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]urea, 1-(2-methoxyphenyl)-3-[(2Z)-5-(2-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 4.16612 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 863.0567 |
Chemical Identifiers
| CAS Number | 428479-22-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(S2)NC(=O)NC3=CC=CC=C3OC |
Product Overview
AB00106601-01 (CAS 428479-22-5), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: 1-(2-methoxyphenyl)-3-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of AB00106601-01
Property Insights of AB00106601-01
The XLogP value of 4.16612 indicates that AB00106601-01 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 AB00106601-01. Following Lipinski's Rule of Five, AB00106601-01 has 2 hydrogen bond donor(s) and 5 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 AB00106601-01?
The CAS number of AB00106601-01 is 428479-22-5.
What is the molecular formula of AB00106601-01?
The molecular formula of AB00106601-01 is C17H16N4O2S.
What is the molecular weight of AB00106601-01?
The molecular weight of AB00106601-01 is 340.10 g/mol.
Where can I buy AB00106601-01?
You can request a quote for AB00106601-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106601-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106601-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.