CAS 476458-96-5 - C21H16N4O5S
TL;DR: CAS 476458-96-5 - C21H16N4O5S (CAS 476458-96-5) is a chemical compound with molecular formula C21H16N4O5S and molecular weight 436.08 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-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide
Also Known As: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
| Molecular Formula | C21H16N4O5S |
|---|---|
| Molecular Weight | 436.08 g/mol |
| LogP | 3.9079 |
| Topological Polar Surface Area | 108.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.08414 |
| Heavy Atoms | 31 |
| Complexity | 1219.2532 |
Chemical Identifiers
| CAS Number | 476458-96-5 |
|---|---|
| SMILES | C1C2=C(N(N=C2CS1)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)/C=C/C4=CC5=C(C=C4)OCO5 |
Product Overview
CAS 476458-96-5 - C21H16N4O5S (CAS 476458-96-5), with molecular formula C21H16N4O5S and molecular weight 436.08 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide.
Chemical Property Profile of CAS 476458-96-5 - C21H16N4O5S
Property Insights of CAS 476458-96-5 - C21H16N4O5S
The XLogP value of 3.9079 indicates that CAS 476458-96-5 - C21H16N4O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.52 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 476458-96-5 - C21H16N4O5S. Following Lipinski's Rule of Five, CAS 476458-96-5 - C21H16N4O5S 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 476458-96-5 - C21H16N4O5S?
The CAS number of CAS 476458-96-5 - C21H16N4O5S is 476458-96-5.
What is the molecular formula of CAS 476458-96-5 - C21H16N4O5S?
The molecular formula of CAS 476458-96-5 - C21H16N4O5S is C21H16N4O5S.
What is the molecular weight of CAS 476458-96-5 - C21H16N4O5S?
The molecular weight of CAS 476458-96-5 - C21H16N4O5S is 436.08 g/mol.
Where can I buy CAS 476458-96-5 - C21H16N4O5S?
You can request a quote for CAS 476458-96-5 - C21H16N4O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 476458-96-5 - C21H16N4O5S?
Yes, KEHONG BIO provides custom synthesis services for CAS 476458-96-5 - C21H16N4O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.