F1874-0663
TL;DR: F1874-0663 (CAS 862126-70-3) is a chemical compound with molecular formula C21H16ClN5O3S and molecular weight 453.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]benzoate
Also Known As: F1874-0663, methyl 4-(2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate, methyl 4-(2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate, methyl 4-[[2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]benzoate, methyl 4-[({[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C21H16ClN5O3S |
|---|---|
| Molecular Weight | 453.07 g/mol |
| LogP | 3.9863 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.06622 |
| Heavy Atoms | 31 |
| Complexity | 1242.3575 |
Chemical Identifiers
| CAS Number | 862126-70-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
F1874-0663 (CAS 862126-70-3), with molecular formula C21H16ClN5O3S and molecular weight 453.07 g/mol. IUPAC: methyl 4-[[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of F1874-0663
Property Insights of F1874-0663
The XLogP value of 3.9863 indicates that F1874-0663 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for F1874-0663. Following Lipinski's Rule of Five, F1874-0663 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 F1874-0663?
The CAS number of F1874-0663 is 862126-70-3.
What is the molecular formula of F1874-0663?
The molecular formula of F1874-0663 is C21H16ClN5O3S.
What is the molecular weight of F1874-0663?
The molecular weight of F1874-0663 is 453.07 g/mol.
Where can I buy F1874-0663?
You can request a quote for F1874-0663 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1874-0663?
Yes, KEHONG BIO provides custom synthesis services for F1874-0663 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.