AB00117398-01
TL;DR: AB00117398-01 (CAS 432004-14-3) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethylphenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Also Known As: AB00117398-01, AP-828/41024086, N-(2-ethylphenyl)-2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide, N-(2-ethylphenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 4.25022 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 893.49744 |
Chemical Identifiers
| CAS Number | 432004-14-3 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)COC3=CC=C(C=C3)C |
Product Overview
AB00117398-01 (CAS 432004-14-3), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: N-(2-ethylphenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00117398-01
Property Insights of AB00117398-01
The XLogP value of 4.25022 indicates that AB00117398-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117398-01. Following Lipinski's Rule of Five, AB00117398-01 has 1 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 AB00117398-01?
The CAS number of AB00117398-01 is 432004-14-3.
What is the molecular formula of AB00117398-01?
The molecular formula of AB00117398-01 is C20H21N3O3S.
What is the molecular weight of AB00117398-01?
The molecular weight of AB00117398-01 is 383.13 g/mol.
Where can I buy AB00117398-01?
You can request a quote for AB00117398-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117398-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117398-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.