ChemDiv1_020445
TL;DR: ChemDiv1_020445 (CAS 325988-56-5) is a chemical compound with molecular formula C29H25N3O3S3 and molecular weight 559.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
Also Known As: ChemDiv1_020445, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide, F0289-0416, N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-(N-methyl-N-phenylsulfamoyl)benzamide
| Molecular Formula | C29H25N3O3S3 |
|---|---|
| Molecular Weight | 559.11 g/mol |
| LogP | 6.981 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.10583 |
| Heavy Atoms | 38 |
| Complexity | 1707.4946 |
Chemical Identifiers
| CAS Number | 325988-56-5 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C5=NC6=CC=CC=C6S5 |
Product Overview
ChemDiv1_020445 (CAS 325988-56-5), with molecular formula C29H25N3O3S3 and molecular weight 559.11 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.
Chemical Property Profile of ChemDiv1_020445
Property Insights of ChemDiv1_020445
The XLogP value of 6.981 indicates that ChemDiv1_020445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020445. Following Lipinski's Rule of Five, ChemDiv1_020445 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_020445?
The CAS number of ChemDiv1_020445 is 325988-56-5.
What is the molecular formula of ChemDiv1_020445?
The molecular formula of ChemDiv1_020445 is C29H25N3O3S3.
What is the molecular weight of ChemDiv1_020445?
The molecular weight of ChemDiv1_020445 is 559.11 g/mol.
Where can I buy ChemDiv1_020445?
You can request a quote for ChemDiv1_020445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020445?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.