ChemDiv2_008072
TL;DR: ChemDiv2_008072 (CAS 866345-73-5) is a chemical compound with molecular formula C20H26ClN3O3S2 and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-cyclooctyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
Also Known As: ChemDiv2_008072, IDI1_006787, F1602-0559, 4-chloro-N-cyclooctyl-3-[(5,5-dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide, 4-chloro-N-cyclooctyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
| Molecular Formula | C20H26ClN3O3S2 |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 3.863 |
| Topological Polar Surface Area | 87.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.1104 |
| Heavy Atoms | 29 |
| Complexity | 911.5466 |
Chemical Identifiers
| CAS Number | 866345-73-5 |
|---|---|
| SMILES | C1CCCC(CCC1)NC(=O)C2=CC(=C(C=C2)Cl)NC3=NC4CS(=O)(=O)CC4S3 |
Product Overview
ChemDiv2_008072 (CAS 866345-73-5), with molecular formula C20H26ClN3O3S2 and molecular weight 455.11 g/mol. IUPAC: 4-chloro-N-cyclooctyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide.
Chemical Property Profile of ChemDiv2_008072
Property Insights of ChemDiv2_008072
The XLogP value of 3.863 indicates that ChemDiv2_008072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_008072. Following Lipinski's Rule of Five, ChemDiv2_008072 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_008072?
The CAS number of ChemDiv2_008072 is 866345-73-5.
What is the molecular formula of ChemDiv2_008072?
The molecular formula of ChemDiv2_008072 is C20H26ClN3O3S2.
What is the molecular weight of ChemDiv2_008072?
The molecular weight of ChemDiv2_008072 is 455.11 g/mol.
Where can I buy ChemDiv2_008072?
You can request a quote for ChemDiv2_008072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_008072?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_008072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.