ChemDiv3_001265
TL;DR: ChemDiv3_001265 (CAS 337489-57-3) is a chemical compound with molecular formula C18H12N2O4S2 and molecular weight 384.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
Also Known As: ChemDiv3_001265, BAS 01313725, IDI1_020231, AB00100786-01, BRD-K22194713-001-01-6
| Molecular Formula | C18H12N2O4S2 |
|---|---|
| Molecular Weight | 384.02 g/mol |
| LogP | 3.1853 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.02383 |
| Heavy Atoms | 26 |
| Complexity | 962.7128 |
Chemical Identifiers
| CAS Number | 337489-57-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CSC3=NC4=CC=CC=C4S3 |
Product Overview
ChemDiv3_001265 (CAS 337489-57-3), with molecular formula C18H12N2O4S2 and molecular weight 384.02 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate.
Chemical Property Profile of ChemDiv3_001265
Property Insights of ChemDiv3_001265
The XLogP value of 3.1853 indicates that ChemDiv3_001265 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001265. Following Lipinski's Rule of Five, ChemDiv3_001265 has 0 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_001265?
The CAS number of ChemDiv3_001265 is 337489-57-3.
What is the molecular formula of ChemDiv3_001265?
The molecular formula of ChemDiv3_001265 is C18H12N2O4S2.
What is the molecular weight of ChemDiv3_001265?
The molecular weight of ChemDiv3_001265 is 384.02 g/mol.
Where can I buy ChemDiv3_001265?
You can request a quote for ChemDiv3_001265 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001265?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001265 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.