ChemDiv2_003689
TL;DR: ChemDiv2_003689 (CAS 352660-29-8) is a chemical compound with molecular formula C13H14N4OS2 and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: ChemDiv2_003689, IDI1_002404, BAS 02232786, BIM-0003042.P001, AJ-292/14826069
| Molecular Formula | C13H14N4OS2 |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0609 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 352660-29-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C(S3)N |
| InChIKey | WGJSANPUQGAPAB-UHFFFAOYSA-N |
Product Overview
ChemDiv2_003689 (CAS 352660-29-8), with molecular formula C13H14N4OS2 and molecular weight 306.06 g/mol. IUPAC: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of ChemDiv2_003689
Property Insights of ChemDiv2_003689
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_003689. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003689. Following Lipinski's Rule of Five, ChemDiv2_003689 has 1 hydrogen bond donor(s) and 6 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_003689?
The CAS number of ChemDiv2_003689 is 352660-29-8.
What is the molecular formula of ChemDiv2_003689?
The molecular formula of ChemDiv2_003689 is C13H14N4OS2.
What is the molecular weight of ChemDiv2_003689?
The molecular weight of ChemDiv2_003689 is 306.06 g/mol.
Where can I buy ChemDiv2_003689?
You can request a quote for ChemDiv2_003689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003689?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.