KST-1A2739
TL;DR: KST-1A2739 (CAS 21602-36-8) is a chemical compound with molecular formula C14H11N3O3S2 and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-benzyl-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-4-yl)acetonitrile
Also Known As: KST-1A2739, (2-benzyl-1,1-dioxido-3-oxo-2,3-dihydro-4h-thieno[2,3-e][1,2,4]thiadiazin-4-yl)acetonitrile, 4H-Thieno(2,3-e)-1,2,4-thiadiazine-4-acetonitrile, 2,3-dihydro-3-oxo-2-(phenylmethyl)-, 1,1-dioxide, 1,1,3-Trioxo-2H,4H-thieno[3,4-e][1,2,4]thiadiazine der., 2-(1,1,3-Trioxo-2-benzylthiopheno(2,3-e)1,2,4-thiadiazin-4-yl)ethanenitrile
| Molecular Formula | C14H11N3O3S2 |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.02417 |
| Heavy Atoms | 22 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 21602-36-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)N(C3=C(S2(=O)=O)C=CS3)CC#N |
| InChIKey | PAXZBLWNIORLCR-UHFFFAOYSA-N |
Product Overview
KST-1A2739 (CAS 21602-36-8), with molecular formula C14H11N3O3S2 and molecular weight 333.02 g/mol. IUPAC: 2-(2-benzyl-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-4-yl)acetonitrile.
Chemical Property Profile of KST-1A2739
Property Insights of KST-1A2739
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A2739. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A2739. Following Lipinski's Rule of Five, KST-1A2739 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-1A2739?
The CAS number of KST-1A2739 is 21602-36-8.
What is the molecular formula of KST-1A2739?
The molecular formula of KST-1A2739 is C14H11N3O3S2.
What is the molecular weight of KST-1A2739?
The molecular weight of KST-1A2739 is 333.02 g/mol.
Where can I buy KST-1A2739?
You can request a quote for KST-1A2739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A2739?
Yes, KEHONG BIO provides custom synthesis services for KST-1A2739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.