ChemDiv1_009595
TL;DR: ChemDiv1_009595 (CAS 381202-87-5) is a chemical compound with molecular formula C23H19BrN4O4S and molecular weight 526.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-2-[(3Z)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide
Also Known As: ChemDiv1_009595, (Z)-N-(3-bromophenyl)-2-(3-(2-morpholino-4-oxothiazol-5(4H)-ylidene)-2-oxoindolin-1-yl)acetamide, N-(3-bromophenyl)-2-[(3Z)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide, N-(3-bromophenyl)-2-{3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetamide, N-(3-bromophenyl)-2-[(3Z)-3-(2-(4-morpholinyl)-4-oxo-1,3-thiazol-5(4H)-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetamide
| Molecular Formula | C23H19BrN4O4S |
|---|---|
| Molecular Weight | 526.03 g/mol |
| LogP | 3.1071 |
| Topological Polar Surface Area | 91.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 526.03107 |
| Heavy Atoms | 33 |
| Complexity | 1222.447 |
Chemical Identifiers
| CAS Number | 381202-87-5 |
|---|---|
| SMILES | C1COCCN1C2=NC(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC(=CC=C5)Br)/S2 |
Product Overview
ChemDiv1_009595 (CAS 381202-87-5), with molecular formula C23H19BrN4O4S and molecular weight 526.03 g/mol. IUPAC: N-(3-bromophenyl)-2-[(3Z)-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetamide.
Chemical Property Profile of ChemDiv1_009595
Property Insights of ChemDiv1_009595
The XLogP value of 3.1071 indicates that ChemDiv1_009595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009595. Following Lipinski's Rule of Five, ChemDiv1_009595 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 ChemDiv1_009595?
The CAS number of ChemDiv1_009595 is 381202-87-5.
What is the molecular formula of ChemDiv1_009595?
The molecular formula of ChemDiv1_009595 is C23H19BrN4O4S.
What is the molecular weight of ChemDiv1_009595?
The molecular weight of ChemDiv1_009595 is 526.03 g/mol.
Where can I buy ChemDiv1_009595?
You can request a quote for ChemDiv1_009595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009595?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.