CAS 476464-06-9 - C13H11N3O3S2
TL;DR: CAS 476464-06-9 - C13H11N3O3S2 (CAS 476464-06-9) is a chemical compound with molecular formula C13H11N3O3S2 and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
Also Known As: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
| Molecular Formula | C13H11N3O3S2 |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | 2.6406 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.02417 |
| Heavy Atoms | 21 |
| Complexity | 699.72 |
Chemical Identifiers
| CAS Number | 476464-06-9 |
|---|---|
| SMILES | CSC1=NN=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
Product Overview
CAS 476464-06-9 - C13H11N3O3S2 (CAS 476464-06-9), with molecular formula C13H11N3O3S2 and molecular weight 321.02 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide.
Chemical Property Profile of CAS 476464-06-9 - C13H11N3O3S2
Property Insights of CAS 476464-06-9 - C13H11N3O3S2
The XLogP value of 2.6406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 476464-06-9 - C13H11N3O3S2. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 476464-06-9 - C13H11N3O3S2. Following Lipinski's Rule of Five, CAS 476464-06-9 - C13H11N3O3S2 has 1 hydrogen bond donor(s) and 7 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 CAS 476464-06-9 - C13H11N3O3S2?
The CAS number of CAS 476464-06-9 - C13H11N3O3S2 is 476464-06-9.
What is the molecular formula of CAS 476464-06-9 - C13H11N3O3S2?
The molecular formula of CAS 476464-06-9 - C13H11N3O3S2 is C13H11N3O3S2.
What is the molecular weight of CAS 476464-06-9 - C13H11N3O3S2?
The molecular weight of CAS 476464-06-9 - C13H11N3O3S2 is 321.02 g/mol.
Where can I buy CAS 476464-06-9 - C13H11N3O3S2?
You can request a quote for CAS 476464-06-9 - C13H11N3O3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 476464-06-9 - C13H11N3O3S2?
Yes, KEHONG BIO provides custom synthesis services for CAS 476464-06-9 - C13H11N3O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.