BAS 00659930
TL;DR: BAS 00659930 (CAS 331947-17-2) is a chemical compound with molecular formula C22H15BrClNO4 and molecular weight 470.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-chlorobenzamide
Also Known As: BAS 00659930, N-{7-[(2-bromophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-4-chlorobenzamide, N-[7-(2-Bromo-benzoyl)-2,3-dihydro-benzo[1,4]dioxin-6-yl]-4-chloro-benzamide, N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-chlorobenzamide, N-{7-[(2-bromophenyl)carbonyl](2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)}(4-chlorophe nyl)carboxamide
| Molecular Formula | C22H15BrClNO4 |
|---|---|
| Molecular Weight | 470.99 g/mol |
| LogP | 5.357 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.9873 |
| Heavy Atoms | 29 |
| Complexity | 1098.4664 |
Chemical Identifiers
| CAS Number | 331947-17-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C(=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4Br |
Product Overview
BAS 00659930 (CAS 331947-17-2), with molecular formula C22H15BrClNO4 and molecular weight 470.99 g/mol. IUPAC: N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-chlorobenzamide.
Chemical Property Profile of BAS 00659930
Property Insights of BAS 00659930
The XLogP value of 5.357 indicates that BAS 00659930 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00659930. Following Lipinski's Rule of Five, BAS 00659930 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00659930?
The CAS number of BAS 00659930 is 331947-17-2.
What is the molecular formula of BAS 00659930?
The molecular formula of BAS 00659930 is C22H15BrClNO4.
What is the molecular weight of BAS 00659930?
The molecular weight of BAS 00659930 is 470.99 g/mol.
Where can I buy BAS 00659930?
You can request a quote for BAS 00659930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00659930?
Yes, KEHONG BIO provides custom synthesis services for BAS 00659930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.