BAS 00368386
TL;DR: BAS 00368386 (CAS 331269-49-9) is a chemical compound with molecular formula C29H18BrNO6 and molecular weight 555.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate
Also Known As: BAS 00368386, [2-(4-bromophenyl)-2-oxoethyl] 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate, 2-(4-bromophenyl)-2-oxoethyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate, 2-(4-bromophenyl)-2-oxoethyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindoline-5-carboxylate, 2-(4-bromophenyl)-2-oxoethyl 1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C29H18BrNO6 |
|---|---|
| Molecular Weight | 555.03 g/mol |
| LogP | 6.0817 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 555.03174 |
| Heavy Atoms | 37 |
| Complexity | 1514.7942 |
Chemical Identifiers
| CAS Number | 331269-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=C(C=C5)Br |
Product Overview
BAS 00368386 (CAS 331269-49-9), with molecular formula C29H18BrNO6 and molecular weight 555.03 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate.
Chemical Property Profile of BAS 00368386
Property Insights of BAS 00368386
The XLogP value of 6.0817 indicates that BAS 00368386 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00368386. Following Lipinski's Rule of Five, BAS 00368386 has 0 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 BAS 00368386?
The CAS number of BAS 00368386 is 331269-49-9.
What is the molecular formula of BAS 00368386?
The molecular formula of BAS 00368386 is C29H18BrNO6.
What is the molecular weight of BAS 00368386?
The molecular weight of BAS 00368386 is 555.03 g/mol.
Where can I buy BAS 00368386?
You can request a quote for BAS 00368386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00368386?
Yes, KEHONG BIO provides custom synthesis services for BAS 00368386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.