AB00677805-01
TL;DR: AB00677805-01 (CAS 891085-12-4) is a chemical compound with molecular formula C18H16N4O3S2 and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,4-dimethoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
Also Known As: AB00677805-01, F2020-0596, N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(methylsulfanyl)-1,3-benzothiazol-2-amine, 5-(2,4-dimethoxyphenyl)-N-(6-(methylthio)benzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine, 5-(2,4-dimethoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
| Molecular Formula | C18H16N4O3S2 |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 4.829 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.06638 |
| Heavy Atoms | 27 |
| Complexity | 1093.3527 |
Chemical Identifiers
| CAS Number | 891085-12-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C2=NN=C(O2)NC3=NC4=C(S3)C=C(C=C4)SC)OC |
Product Overview
AB00677805-01 (CAS 891085-12-4), with molecular formula C18H16N4O3S2 and molecular weight 400.07 g/mol. IUPAC: 5-(2,4-dimethoxyphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.
Chemical Property Profile of AB00677805-01
Property Insights of AB00677805-01
The XLogP value of 4.829 indicates that AB00677805-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00677805-01. Following Lipinski's Rule of Five, AB00677805-01 has 1 hydrogen bond donor(s) and 9 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 AB00677805-01?
The CAS number of AB00677805-01 is 891085-12-4.
What is the molecular formula of AB00677805-01?
The molecular formula of AB00677805-01 is C18H16N4O3S2.
What is the molecular weight of AB00677805-01?
The molecular weight of AB00677805-01 is 400.07 g/mol.
Where can I buy AB00677805-01?
You can request a quote for AB00677805-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00677805-01?
Yes, KEHONG BIO provides custom synthesis services for AB00677805-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.