A3750/0158968
TL;DR: A3750/0158968 (CAS 727669-66-1) is a chemical compound with molecular formula C22H17Br2NO4 and molecular weight 516.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[7-[(4-bromophenyl)-hydroxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
Also Known As: A3750/0158968, 2-bromo-N-[7-[(4-bromophenyl)-hydroxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide, 2-bromo-N-{7-[(4-bromophenyl)(hydroxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}benzamide
| Molecular Formula | C22H17Br2NO4 |
|---|---|
| Molecular Weight | 516.95 g/mol |
| LogP | 5.3168 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.95245 |
| Heavy Atoms | 29 |
| Complexity | 1053.178 |
Chemical Identifiers
| CAS Number | 727669-66-1 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C(=C2)NC(=O)C3=CC=CC=C3Br)C(C4=CC=C(C=C4)Br)O |
Product Overview
A3750/0158968 (CAS 727669-66-1), with molecular formula C22H17Br2NO4 and molecular weight 516.95 g/mol. IUPAC: 2-bromo-N-[7-[(4-bromophenyl)-hydroxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide.
Chemical Property Profile of A3750/0158968
Property Insights of A3750/0158968
The XLogP value of 5.3168 indicates that A3750/0158968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for A3750/0158968. Following Lipinski's Rule of Five, A3750/0158968 has 2 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 A3750/0158968?
The CAS number of A3750/0158968 is 727669-66-1.
What is the molecular formula of A3750/0158968?
The molecular formula of A3750/0158968 is C22H17Br2NO4.
What is the molecular weight of A3750/0158968?
The molecular weight of A3750/0158968 is 516.95 g/mol.
Where can I buy A3750/0158968?
You can request a quote for A3750/0158968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3750/0158968?
Yes, KEHONG BIO provides custom synthesis services for A3750/0158968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.