ChemDiv1_022328
TL;DR: ChemDiv1_022328 (CAS 393837-30-4) is a chemical compound with molecular formula C24H22N2OS3 and molecular weight 450.09 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]-3-phenylsulfanylpropanamide
Also Known As: ChemDiv1_022328, F0700-0061, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(phenylsulfanyl)propanamide, N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(phenylthio)propanamide, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylsulfanylpropanamide
| Molecular Formula | C24H22N2OS3 |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 7.0245 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.08942 |
| Heavy Atoms | 30 |
| Complexity | 1146.8645 |
Chemical Identifiers
| CAS Number | 393837-30-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=CC=CC=C3)C4=NC5=CC=CC=C5S4 |
Product Overview
ChemDiv1_022328 (CAS 393837-30-4), with molecular formula C24H22N2OS3 and molecular weight 450.09 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylsulfanylpropanamide.
Chemical Property Profile of ChemDiv1_022328
Property Insights of ChemDiv1_022328
The XLogP value of 7.0245 indicates that ChemDiv1_022328 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, ChemDiv1_022328 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022328 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022328?
The CAS number of ChemDiv1_022328 is 393837-30-4.
What is the molecular formula of ChemDiv1_022328?
The molecular formula of ChemDiv1_022328 is C24H22N2OS3.
What is the molecular weight of ChemDiv1_022328?
The molecular weight of ChemDiv1_022328 is 450.09 g/mol.
Where can I buy ChemDiv1_022328?
You can request a quote for ChemDiv1_022328 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022328?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022328 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.