BIM-0045643.P001
TL;DR: BIM-0045643.P001 (CAS 61576-97-4) is a chemical compound with molecular formula C19H16ClNOS and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: BIM-0045643.P001, (3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone, methanone,(3-chloro-6-methylbenzo[b]thien-2-yl)(3,4-dihydro-2(1h)-isoquinolinyl)-, (3-chloro-6-methyl-1-benzothiophen-2-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone, (3-CHLORO-6-METHYL-1-BENZOTHIOPHEN-2-YL)[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]METHANONE
| Molecular Formula | C19H16ClNOS |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.06412 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 61576-97-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCC4=CC=CC=C4C3)Cl |
| InChIKey | JJGVLNKJCSNTOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BIM-0045643.P001 (CAS 61576-97-4), with molecular formula C19H16ClNOS and molecular weight 341.06 g/mol. IUPAC: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of BIM-0045643.P001
Property Insights of BIM-0045643.P001
The XLogP value of 5.3 indicates that BIM-0045643.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.6 Ų, BIM-0045643.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0045643.P001 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0045643.P001?
The CAS number of BIM-0045643.P001 is 61576-97-4.
What is the molecular formula of BIM-0045643.P001?
The molecular formula of BIM-0045643.P001 is C19H16ClNOS.
What is the molecular weight of BIM-0045643.P001?
The molecular weight of BIM-0045643.P001 is 341.06 g/mol.
Where can I buy BIM-0045643.P001?
You can request a quote for BIM-0045643.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045643.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045643.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.