KST-1A2735
TL;DR: KST-1A2735 (CAS 21594-76-3) is a chemical compound with molecular formula C14H10ClN3O3S2 and molecular weight 366.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(3-chlorophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile
Also Known As: KST-1A2735, [2-(3-chlorobenzyl)-1,1-dioxido-3-oxo-2,3-dihydro-4h-thieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile, 4H-Thieno(3,4-e)-1,2,4-thiadiazine-4-acetonitrile, 2-((3-chlorophenyl)methyl)-2,3-dihydro-3-oxo-, 1,1-dioxide, 1,1,3-Trioxo-2H,4H-thieno[3,4-e][1,2,4]thiadiazine der., 2-(2-((3-Chlorophenyl)methyl)-1,1,3-trioxothiopheno(3,4-e)1,2,4-thiadiazaperhydroin-4-yl)ethanenitrile
| Molecular Formula | C14H10ClN3O3S2 |
|---|---|
| Molecular Weight | 366.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.9852 |
| Heavy Atoms | 23 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 21594-76-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CN2C(=O)N(C3=CSC=C3S2(=O)=O)CC#N |
| InChIKey | NRHCEUGPZSVYAM-UHFFFAOYSA-N |
Product Overview
KST-1A2735 (CAS 21594-76-3), with molecular formula C14H10ClN3O3S2 and molecular weight 366.99 g/mol. IUPAC: 2-[2-[(3-chlorophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile.
Chemical Property Profile of KST-1A2735
Property Insights of KST-1A2735
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A2735. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A2735. Following Lipinski's Rule of Five, KST-1A2735 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 KST-1A2735?
The CAS number of KST-1A2735 is 21594-76-3.
What is the molecular formula of KST-1A2735?
The molecular formula of KST-1A2735 is C14H10ClN3O3S2.
What is the molecular weight of KST-1A2735?
The molecular weight of KST-1A2735 is 366.99 g/mol.
Where can I buy KST-1A2735?
You can request a quote for KST-1A2735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A2735?
Yes, KEHONG BIO provides custom synthesis services for KST-1A2735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.