ChemDiv3_004517
TL;DR: ChemDiv3_004517 (CAS 587844-73-3) is a chemical compound with molecular formula C18H18Cl2N2O3S and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenoxy)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
Also Known As: ChemDiv3_004517, IDI1_022427, BRD-A98016000-001-01-4, 2-(2,4-dichlorophenoxy)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide, 2-(2,4-dichlorophenoxy)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
| Molecular Formula | C18H18Cl2N2O3S |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | 5.011 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.0415 |
| Heavy Atoms | 26 |
| Complexity | 879.3163 |
Chemical Identifiers
| CAS Number | 587844-73-3 |
|---|---|
| SMILES | CC(C(=O)NC1=NC2=C(S1)C(=O)CC(C2)(C)C)OC3=C(C=C(C=C3)Cl)Cl |
Product Overview
ChemDiv3_004517 (CAS 587844-73-3), with molecular formula C18H18Cl2N2O3S and molecular weight 412.04 g/mol. IUPAC: 2-(2,4-dichlorophenoxy)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide.
Chemical Property Profile of ChemDiv3_004517
Property Insights of ChemDiv3_004517
The XLogP value of 5.011 indicates that ChemDiv3_004517 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004517. Following Lipinski's Rule of Five, ChemDiv3_004517 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_004517?
The CAS number of ChemDiv3_004517 is 587844-73-3.
What is the molecular formula of ChemDiv3_004517?
The molecular formula of ChemDiv3_004517 is C18H18Cl2N2O3S.
What is the molecular weight of ChemDiv3_004517?
The molecular weight of ChemDiv3_004517 is 412.04 g/mol.
Where can I buy ChemDiv3_004517?
You can request a quote for ChemDiv3_004517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004517?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.