AB00736222-01
TL;DR: AB00736222-01 (CAS 848176-99-8) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
Also Known As: AB00736222-01, 2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide, 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide, 2-[5-(3,4-dimethoxyphenyl)(1,3,4-oxadiazol-2-ylthio)]-N-(4-ethylphenyl)acetami de
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 4.047 |
| Topological Polar Surface Area | 86.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 940.8788 |
Chemical Identifiers
| CAS Number | 848176-99-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC |
Product Overview
AB00736222-01 (CAS 848176-99-8), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide.
Chemical Property Profile of AB00736222-01
Property Insights of AB00736222-01
The XLogP value of 4.047 indicates that AB00736222-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00736222-01. Following Lipinski's Rule of Five, AB00736222-01 has 1 hydrogen bond donor(s) and 7 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 AB00736222-01?
The CAS number of AB00736222-01 is 848176-99-8.
What is the molecular formula of AB00736222-01?
The molecular formula of AB00736222-01 is C20H21N3O4S.
What is the molecular weight of AB00736222-01?
The molecular weight of AB00736222-01 is 399.13 g/mol.
Where can I buy AB00736222-01?
You can request a quote for AB00736222-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00736222-01?
Yes, KEHONG BIO provides custom synthesis services for AB00736222-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.