AB00679154-01
TL;DR: AB00679154-01 (CAS 897735-67-0) is a chemical compound with molecular formula C17H12BrN3O4 and molecular weight 401.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: AB00679154-01, N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, F2518-0509, N-(5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
| Molecular Formula | C17H12BrN3O4 |
|---|---|
| Molecular Weight | 401.00 g/mol |
| LogP | 3.5226 |
| Topological Polar Surface Area | 86.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.00113 |
| Heavy Atoms | 25 |
| Complexity | 923.89734 |
Chemical Identifiers
| CAS Number | 897735-67-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)Br |
Product Overview
AB00679154-01 (CAS 897735-67-0), with molecular formula C17H12BrN3O4 and molecular weight 401.00 g/mol. IUPAC: N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of AB00679154-01
Property Insights of AB00679154-01
The XLogP value of 3.5226 indicates that AB00679154-01 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 AB00679154-01. Following Lipinski's Rule of Five, AB00679154-01 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 AB00679154-01?
The CAS number of AB00679154-01 is 897735-67-0.
What is the molecular formula of AB00679154-01?
The molecular formula of AB00679154-01 is C17H12BrN3O4.
What is the molecular weight of AB00679154-01?
The molecular weight of AB00679154-01 is 401.00 g/mol.
Where can I buy AB00679154-01?
You can request a quote for AB00679154-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00679154-01?
Yes, KEHONG BIO provides custom synthesis services for AB00679154-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.