CAS 477212-17-2 - C20H16N4O4S2
TL;DR: CAS 477212-17-2 - C20H16N4O4S2 (CAS 477212-17-2) is a chemical compound with molecular formula C20H16N4O4S2 and molecular weight 440.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide
Also Known As: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-(5-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)prop-2-enamide
| Molecular Formula | C20H16N4O4S2 |
|---|---|
| Molecular Weight | 440.06 g/mol |
| LogP | 3.6495 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.0613 |
| Heavy Atoms | 30 |
| Complexity | 1085.4203 |
Chemical Identifiers
| CAS Number | 477212-17-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=NN=C(S3)SCC(=O)NC4=CC=CC=C4 |
Product Overview
CAS 477212-17-2 - C20H16N4O4S2 (CAS 477212-17-2), with molecular formula C20H16N4O4S2 and molecular weight 440.06 g/mol. IUPAC: (E)-N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide.
Chemical Property Profile of CAS 477212-17-2 - C20H16N4O4S2
Property Insights of CAS 477212-17-2 - C20H16N4O4S2
The XLogP value of 3.6495 indicates that CAS 477212-17-2 - C20H16N4O4S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 477212-17-2 - C20H16N4O4S2. Following Lipinski's Rule of Five, CAS 477212-17-2 - C20H16N4O4S2 has 2 hydrogen bond donor(s) and 8 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 477212-17-2 - C20H16N4O4S2?
The CAS number of CAS 477212-17-2 - C20H16N4O4S2 is 477212-17-2.
What is the molecular formula of CAS 477212-17-2 - C20H16N4O4S2?
The molecular formula of CAS 477212-17-2 - C20H16N4O4S2 is C20H16N4O4S2.
What is the molecular weight of CAS 477212-17-2 - C20H16N4O4S2?
The molecular weight of CAS 477212-17-2 - C20H16N4O4S2 is 440.06 g/mol.
Where can I buy CAS 477212-17-2 - C20H16N4O4S2?
You can request a quote for CAS 477212-17-2 - C20H16N4O4S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 477212-17-2 - C20H16N4O4S2?
Yes, KEHONG BIO provides custom synthesis services for CAS 477212-17-2 - C20H16N4O4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.