ChemDiv3_008831
TL;DR: ChemDiv3_008831 (CAS 851716-87-5) is a chemical compound with molecular formula C22H20N4O3S3 and molecular weight 484.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
Also Known As: ChemDiv3_008831, IDI1_026741, BRD-K48804377-001-01-7, F0620-0727, N-[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-({[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)acetamide
| Molecular Formula | C22H20N4O3S3 |
|---|---|
| Molecular Weight | 484.07 g/mol |
| LogP | 4.1711 |
| Topological Polar Surface Area | 85.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.06976 |
| Heavy Atoms | 32 |
| Complexity | 1325.203 |
Chemical Identifiers
| CAS Number | 851716-87-5 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSCC(=O)NC3=NC(=CS3)C4=CC=CC=C4 |
Product Overview
ChemDiv3_008831 (CAS 851716-87-5), with molecular formula C22H20N4O3S3 and molecular weight 484.07 g/mol. IUPAC: 2-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv3_008831
Property Insights of ChemDiv3_008831
The XLogP value of 4.1711 indicates that ChemDiv3_008831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008831. Following Lipinski's Rule of Five, ChemDiv3_008831 has 1 hydrogen bond donor(s) and 7 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 ChemDiv3_008831?
The CAS number of ChemDiv3_008831 is 851716-87-5.
What is the molecular formula of ChemDiv3_008831?
The molecular formula of ChemDiv3_008831 is C22H20N4O3S3.
What is the molecular weight of ChemDiv3_008831?
The molecular weight of ChemDiv3_008831 is 484.07 g/mol.
Where can I buy ChemDiv3_008831?
You can request a quote for ChemDiv3_008831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008831?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.