AB00686238-01
TL;DR: AB00686238-01 (CAS 866844-38-4) is a chemical compound with molecular formula C21H12BrNO6 and molecular weight 452.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-5-bromofuran-2-carboxamide
Also Known As: AB00686238-01, N-[2-(2H-1,3-BENZODIOXOLE-5-CARBONYL)-1-BENZOFURAN-3-YL]-5-BROMOFURAN-2-CARBOXAMIDE, F1605-0963, N-(2-(benzo[d][1,3]dioxole-5-carbonyl)benzofuran-3-yl)-5-bromofuran-2-carboxamide, N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-5-bromofuran-2-carboxamide
| Molecular Formula | C21H12BrNO6 |
|---|---|
| Molecular Weight | 452.98 g/mol |
| LogP | 5.0003 |
| Topological Polar Surface Area | 90.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.9848 |
| Heavy Atoms | 29 |
| Complexity | 1271.4111 |
Chemical Identifiers
| CAS Number | 866844-38-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)C3=C(C4=CC=CC=C4O3)NC(=O)C5=CC=C(O5)Br |
Product Overview
AB00686238-01 (CAS 866844-38-4), with molecular formula C21H12BrNO6 and molecular weight 452.98 g/mol. IUPAC: N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-5-bromofuran-2-carboxamide.
Chemical Property Profile of AB00686238-01
Property Insights of AB00686238-01
The XLogP value of 5.0003 indicates that AB00686238-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686238-01. Following Lipinski's Rule of Five, AB00686238-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00686238-01?
The CAS number of AB00686238-01 is 866844-38-4.
What is the molecular formula of AB00686238-01?
The molecular formula of AB00686238-01 is C21H12BrNO6.
What is the molecular weight of AB00686238-01?
The molecular weight of AB00686238-01 is 452.98 g/mol.
Where can I buy AB00686238-01?
You can request a quote for AB00686238-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686238-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686238-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.