CAS 1164465-30-8 - C21H16ClN3O3S
TL;DR: CAS 1164465-30-8 - C21H16ClN3O3S (CAS 1164465-30-8) is a chemical compound with molecular formula C21H16ClN3O3S and molecular weight 425.06 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-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide
Also Known As: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-chlorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide, (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-chlorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
| Molecular Formula | C21H16ClN3O3S |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 4.6531 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.0601 |
| Heavy Atoms | 29 |
| Complexity | 1124.9452 |
Chemical Identifiers
| CAS Number | 1164465-30-8 |
|---|---|
| SMILES | C1C2=C(N(N=C2CS1)C3=CC=C(C=C3)Cl)NC(=O)/C=C/C4=CC5=C(C=C4)OCO5 |
Product Overview
CAS 1164465-30-8 - C21H16ClN3O3S (CAS 1164465-30-8), with molecular formula C21H16ClN3O3S and molecular weight 425.06 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide.
Chemical Property Profile of CAS 1164465-30-8 - C21H16ClN3O3S
Property Insights of CAS 1164465-30-8 - C21H16ClN3O3S
The XLogP value of 4.6531 indicates that CAS 1164465-30-8 - C21H16ClN3O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 1164465-30-8 - C21H16ClN3O3S. Following Lipinski's Rule of Five, CAS 1164465-30-8 - C21H16ClN3O3S has 1 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 CAS 1164465-30-8 - C21H16ClN3O3S?
The CAS number of CAS 1164465-30-8 - C21H16ClN3O3S is 1164465-30-8.
What is the molecular formula of CAS 1164465-30-8 - C21H16ClN3O3S?
The molecular formula of CAS 1164465-30-8 - C21H16ClN3O3S is C21H16ClN3O3S.
What is the molecular weight of CAS 1164465-30-8 - C21H16ClN3O3S?
The molecular weight of CAS 1164465-30-8 - C21H16ClN3O3S is 425.06 g/mol.
Where can I buy CAS 1164465-30-8 - C21H16ClN3O3S?
You can request a quote for CAS 1164465-30-8 - C21H16ClN3O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 1164465-30-8 - C21H16ClN3O3S?
Yes, KEHONG BIO provides custom synthesis services for CAS 1164465-30-8 - C21H16ClN3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.