AB00680439-01
TL;DR: AB00680439-01 (CAS 886919-08-0) is a chemical compound with molecular formula C19H17N3O6S and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfonylbenzamide
Also Known As: AB00680439-01, F2648-0790, N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-(ethanesulfonyl)benzamide, N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfonylbenzamide, N-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3,4-oxadiazol-2-yl)-4-(ethylsulfonyl)benzamide
| Molecular Formula | C19H17N3O6S |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 2.5537 |
| Topological Polar Surface Area | 120.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.0838 |
| Heavy Atoms | 29 |
| Complexity | 1154.9425 |
Chemical Identifiers
| CAS Number | 886919-08-0 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC4=C(C=C3)OCCO4 |
Product Overview
AB00680439-01 (CAS 886919-08-0), with molecular formula C19H17N3O6S and molecular weight 415.08 g/mol. IUPAC: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfonylbenzamide.
Chemical Property Profile of AB00680439-01
Property Insights of AB00680439-01
The XLogP value of 2.5537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680439-01. The TPSA of 120.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680439-01. Following Lipinski's Rule of Five, AB00680439-01 has 1 hydrogen bond donor(s) and 8 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 AB00680439-01?
The CAS number of AB00680439-01 is 886919-08-0.
What is the molecular formula of AB00680439-01?
The molecular formula of AB00680439-01 is C19H17N3O6S.
What is the molecular weight of AB00680439-01?
The molecular weight of AB00680439-01 is 415.08 g/mol.
Where can I buy AB00680439-01?
You can request a quote for AB00680439-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680439-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680439-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.