ChemDiv2_006058
TL;DR: ChemDiv2_006058 (CAS 851716-91-1) is a chemical compound with molecular formula C23H25N3O4S2 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
Also Known As: ChemDiv2_006058, IDI1_004773, F0620-0766, (Z)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-N-(6-methoxy-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)acetamide, 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-N-[(2Z)-6-methoxy-3-(2-methoxyethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide
| Molecular Formula | C23H25N3O4S2 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 3.1076 |
| Topological Polar Surface Area | 73.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.12866 |
| Heavy Atoms | 32 |
| Complexity | 1201.4148 |
Chemical Identifiers
| CAS Number | 851716-91-1 |
|---|---|
| SMILES | COCCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSCC(=O)N3CCC4=CC=CC=C43 |
Product Overview
ChemDiv2_006058 (CAS 851716-91-1), with molecular formula C23H25N3O4S2 and molecular weight 471.13 g/mol. IUPAC: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.
Chemical Property Profile of ChemDiv2_006058
Property Insights of ChemDiv2_006058
The XLogP value of 3.1076 indicates that ChemDiv2_006058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006058. Following Lipinski's Rule of Five, ChemDiv2_006058 has 0 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_006058?
The CAS number of ChemDiv2_006058 is 851716-91-1.
What is the molecular formula of ChemDiv2_006058?
The molecular formula of ChemDiv2_006058 is C23H25N3O4S2.
What is the molecular weight of ChemDiv2_006058?
The molecular weight of ChemDiv2_006058 is 471.13 g/mol.
Where can I buy ChemDiv2_006058?
You can request a quote for ChemDiv2_006058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006058?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.