ChemDiv2_004764
TL;DR: ChemDiv2_004764 (CAS 522652-66-0) is a chemical compound with molecular formula C14H15N3OS2 and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Also Known As: ChemDiv2_004764, IDI1_003479, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethanone
| Molecular Formula | C14H15N3OS2 |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 2.52352 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.06564 |
| Heavy Atoms | 20 |
| Complexity | 626.38654 |
Chemical Identifiers
| CAS Number | 522652-66-0 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
ChemDiv2_004764 (CAS 522652-66-0), with molecular formula C14H15N3OS2 and molecular weight 305.07 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of ChemDiv2_004764
Property Insights of ChemDiv2_004764
The XLogP value of 2.52352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004764. With a topological polar surface area (TPSA) of 46.09 Ų, ChemDiv2_004764 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_004764 has 0 hydrogen bond donor(s) and 5 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 ChemDiv2_004764?
The CAS number of ChemDiv2_004764 is 522652-66-0.
What is the molecular formula of ChemDiv2_004764?
The molecular formula of ChemDiv2_004764 is C14H15N3OS2.
What is the molecular weight of ChemDiv2_004764?
The molecular weight of ChemDiv2_004764 is 305.07 g/mol.
Where can I buy ChemDiv2_004764?
You can request a quote for ChemDiv2_004764 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004764?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004764 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.