ChemDiv3_004481
TL;DR: ChemDiv3_004481 (CAS 403843-38-9) is a chemical compound with molecular formula C23H19N3O2S3 and molecular weight 465.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: ChemDiv3_004481, IDI1_022391, BRD-A37743592-001-01-1, F1016-0684, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
| Molecular Formula | C23H19N3O2S3 |
|---|---|
| Molecular Weight | 465.06 g/mol |
| LogP | 5.8364 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.06393 |
| Heavy Atoms | 31 |
| Complexity | 1199.6953 |
Chemical Identifiers
| CAS Number | 403843-38-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4S3)C5=CC=CS5 |
Product Overview
ChemDiv3_004481 (CAS 403843-38-9), with molecular formula C23H19N3O2S3 and molecular weight 465.06 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of ChemDiv3_004481
Property Insights of ChemDiv3_004481
The XLogP value of 5.8364 indicates that ChemDiv3_004481 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, ChemDiv3_004481 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004481 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_004481?
The CAS number of ChemDiv3_004481 is 403843-38-9.
What is the molecular formula of ChemDiv3_004481?
The molecular formula of ChemDiv3_004481 is C23H19N3O2S3.
What is the molecular weight of ChemDiv3_004481?
The molecular weight of ChemDiv3_004481 is 465.06 g/mol.
Where can I buy ChemDiv3_004481?
You can request a quote for ChemDiv3_004481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004481?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.