CAS 449784-83-2 - C18H21N3O3S
TL;DR: CAS 449784-83-2 - C18H21N3O3S (CAS 449784-83-2) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylprop-2-enamide
Also Known As: (2Z)-N-{2-tert-butyl-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl}-3-phenylprop-2-enamide
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 2.7184 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 935.93616 |
Chemical Identifiers
| CAS Number | 449784-83-2 |
|---|---|
| SMILES | CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
CAS 449784-83-2 - C18H21N3O3S (CAS 449784-83-2), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: (E)-N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-phenylprop-2-enamide.
Chemical Property Profile of CAS 449784-83-2 - C18H21N3O3S
Property Insights of CAS 449784-83-2 - C18H21N3O3S
The XLogP value of 2.7184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 449784-83-2 - C18H21N3O3S. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 449784-83-2 - C18H21N3O3S. Following Lipinski's Rule of Five, CAS 449784-83-2 - C18H21N3O3S has 1 hydrogen bond donor(s) and 4 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 449784-83-2 - C18H21N3O3S?
The CAS number of CAS 449784-83-2 - C18H21N3O3S is 449784-83-2.
What is the molecular formula of CAS 449784-83-2 - C18H21N3O3S?
The molecular formula of CAS 449784-83-2 - C18H21N3O3S is C18H21N3O3S.
What is the molecular weight of CAS 449784-83-2 - C18H21N3O3S?
The molecular weight of CAS 449784-83-2 - C18H21N3O3S is 359.13 g/mol.
Where can I buy CAS 449784-83-2 - C18H21N3O3S?
You can request a quote for CAS 449784-83-2 - C18H21N3O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 449784-83-2 - C18H21N3O3S?
Yes, KEHONG BIO provides custom synthesis services for CAS 449784-83-2 - C18H21N3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.