ChemDiv1_002567
TL;DR: ChemDiv1_002567 (CAS 313395-94-7) is a chemical compound with molecular formula C24H17ClN2OS3 and molecular weight 480.02 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-chloro-1-benzothiophene-2-carboxamide
Also Known As: ChemDiv1_002567, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-chloro-1-benzothiophene-2-carboxamide, F0359-0235, N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-chlorobenzo[b]thiophene-2-carboxamide
| Molecular Formula | C24H17ClN2OS3 |
|---|---|
| Molecular Weight | 480.02 g/mol |
| LogP | 8.024 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.01917 |
| Heavy Atoms | 31 |
| Complexity | 1429.5854 |
Chemical Identifiers
| CAS Number | 313395-94-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=NC6=CC=CC=C6S5 |
Product Overview
ChemDiv1_002567 (CAS 313395-94-7), with molecular formula C24H17ClN2OS3 and molecular weight 480.02 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_002567
Property Insights of ChemDiv1_002567
The XLogP value of 8.024 indicates that ChemDiv1_002567 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_002567 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002567 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_002567?
The CAS number of ChemDiv1_002567 is 313395-94-7.
What is the molecular formula of ChemDiv1_002567?
The molecular formula of ChemDiv1_002567 is C24H17ClN2OS3.
What is the molecular weight of ChemDiv1_002567?
The molecular weight of ChemDiv1_002567 is 480.02 g/mol.
Where can I buy ChemDiv1_002567?
You can request a quote for ChemDiv1_002567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002567?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.