ChemDiv3_000392
TL;DR: ChemDiv3_000392 (CAS 332413-33-9) is a chemical compound with molecular formula C20H19N3S and molecular weight 333.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,3-dimethyl-4H-isoquinolin-1-yl)-4-phenyl-1,3-thiazol-2-amine
Also Known As: ChemDiv3_000392, BIM-0016128.P001, BRD-K59536452-001-01-9, N-(3,3-dimethyl-4H-isoquinolin-1-yl)-4-phenyl-1,3-thiazol-2-amine, (Z)-N-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-4-phenylthiazol-2-amine
| Molecular Formula | C20H19N3S |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.12997 |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 332413-33-9 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=N1)NC3=NC(=CS3)C4=CC=CC=C4)C |
| InChIKey | FSIBYYOWPARQKB-UHFFFAOYSA-N |
Product Overview
ChemDiv3_000392 (CAS 332413-33-9), with molecular formula C20H19N3S and molecular weight 333.13 g/mol. IUPAC: N-(3,3-dimethyl-4H-isoquinolin-1-yl)-4-phenyl-1,3-thiazol-2-amine.
Chemical Property Profile of ChemDiv3_000392
Property Insights of ChemDiv3_000392
The XLogP value of 4.3 indicates that ChemDiv3_000392 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_000392. Following Lipinski's Rule of Five, ChemDiv3_000392 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_000392?
The CAS number of ChemDiv3_000392 is 332413-33-9.
What is the molecular formula of ChemDiv3_000392?
The molecular formula of ChemDiv3_000392 is C20H19N3S.
What is the molecular weight of ChemDiv3_000392?
The molecular weight of ChemDiv3_000392 is 333.13 g/mol.
Where can I buy ChemDiv3_000392?
You can request a quote for ChemDiv3_000392 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000392?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000392 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.