AB00106679-01
TL;DR: AB00106679-01 (CAS 428482-63-7) is a chemical compound with molecular formula C17H16N4O2S2 and molecular weight 372.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea
Also Known As: AB00106679-01, 1-(3-methoxyphenyl)-3-(5-((phenylthio)methyl)-1,3,4-thiadiazol-2-yl)urea, 1-(3-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea, N-(3-methoxyphenyl)-N'-{5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl}urea, 1-(3-methoxyphenyl)-3-[(2Z)-5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C17H16N4O2S2 |
|---|---|
| Molecular Weight | 372.07 g/mol |
| LogP | 4.483 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.07147 |
| Heavy Atoms | 25 |
| Complexity | 839.42896 |
Chemical Identifiers
| CAS Number | 428482-63-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)CSC3=CC=CC=C3 |
Product Overview
AB00106679-01 (CAS 428482-63-7), with molecular formula C17H16N4O2S2 and molecular weight 372.07 g/mol. IUPAC: 1-(3-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of AB00106679-01
Property Insights of AB00106679-01
The XLogP value of 4.483 indicates that AB00106679-01 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 AB00106679-01. Following Lipinski's Rule of Five, AB00106679-01 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 AB00106679-01?
The CAS number of AB00106679-01 is 428482-63-7.
What is the molecular formula of AB00106679-01?
The molecular formula of AB00106679-01 is C17H16N4O2S2.
What is the molecular weight of AB00106679-01?
The molecular weight of AB00106679-01 is 372.07 g/mol.
Where can I buy AB00106679-01?
You can request a quote for AB00106679-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106679-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106679-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.