ChemDiv1_021055
TL;DR: ChemDiv1_021055 (CAS 328027-75-4) 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]-2-[(4-methylphenyl)sulfonylamino]benzamide
Also Known As: ChemDiv1_021055, F0325-0176, N-[3-(1,3-BENZOTHIAZOL-2-YL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-2-(4-METHYLBENZENESULFONAMIDO)BENZAMIDE, N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-(4-methylphenylsulfonamido)benzamide, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
| Molecular Formula | C29H25N3O3S3 |
|---|---|
| Molecular Weight | 559.11 g/mol |
| LogP | 7.26512 |
| Topological Polar Surface Area | 88.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.10583 |
| Heavy Atoms | 38 |
| Complexity | 1736.9447 |
Chemical Identifiers
| CAS Number | 328027-75-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=C(C4=C(S3)CCCC4)C5=NC6=CC=CC=C6S5 |
Product Overview
ChemDiv1_021055 (CAS 328027-75-4), 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]-2-[(4-methylphenyl)sulfonylamino]benzamide.
Chemical Property Profile of ChemDiv1_021055
Property Insights of ChemDiv1_021055
The XLogP value of 7.26512 indicates that ChemDiv1_021055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021055. Following Lipinski's Rule of Five, ChemDiv1_021055 has 2 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_021055?
The CAS number of ChemDiv1_021055 is 328027-75-4.
What is the molecular formula of ChemDiv1_021055?
The molecular formula of ChemDiv1_021055 is C29H25N3O3S3.
What is the molecular weight of ChemDiv1_021055?
The molecular weight of ChemDiv1_021055 is 559.11 g/mol.
Where can I buy ChemDiv1_021055?
You can request a quote for ChemDiv1_021055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021055?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.