F1874-0653
TL;DR: F1874-0653 (CAS 578005-45-5) is a chemical compound with molecular formula C20H14ClN5O3S and molecular weight 439.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
Also Known As: F1874-0653, N-(1,3-benzodioxol-5-yl)-2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide, N-(1,3-benzodioxol-5-yl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C20H14ClN5O3S |
|---|---|
| Molecular Weight | 439.05 g/mol |
| LogP | 3.9284 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.0506 |
| Heavy Atoms | 30 |
| Complexity | 1245.1646 |
Chemical Identifiers
| CAS Number | 578005-45-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Cl |
Product Overview
F1874-0653 (CAS 578005-45-5), with molecular formula C20H14ClN5O3S and molecular weight 439.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.
Chemical Property Profile of F1874-0653
Property Insights of F1874-0653
The XLogP value of 3.9284 indicates that F1874-0653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for F1874-0653. Following Lipinski's Rule of Five, F1874-0653 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 F1874-0653?
The CAS number of F1874-0653 is 578005-45-5.
What is the molecular formula of F1874-0653?
The molecular formula of F1874-0653 is C20H14ClN5O3S.
What is the molecular weight of F1874-0653?
The molecular weight of F1874-0653 is 439.05 g/mol.
Where can I buy F1874-0653?
You can request a quote for F1874-0653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1874-0653?
Yes, KEHONG BIO provides custom synthesis services for F1874-0653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.