C21H18FN5OS
TL;DR: C21H18FN5OS (CAS 577694-74-7) is a chemical compound with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
Also Known As: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide, 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide, 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
| Molecular Formula | C21H18FN5OS |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 4.05292 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.1216 |
| Heavy Atoms | 29 |
| Complexity | 1162.4252 |
Chemical Identifiers
| CAS Number | 577694-74-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4)F |
Product Overview
C21H18FN5OS (CAS 577694-74-7), with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol. IUPAC: 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide.
Chemical Property Profile of C21H18FN5OS
Property Insights of C21H18FN5OS
The XLogP value of 4.05292 indicates that C21H18FN5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H18FN5OS. Following Lipinski's Rule of Five, C21H18FN5OS 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 C21H18FN5OS?
The CAS number of C21H18FN5OS is 577694-74-7.
What is the molecular formula of C21H18FN5OS?
The molecular formula of C21H18FN5OS is C21H18FN5OS.
What is the molecular weight of C21H18FN5OS?
The molecular weight of C21H18FN5OS is 407.12 g/mol.
Where can I buy C21H18FN5OS?
You can request a quote for C21H18FN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18FN5OS?
Yes, KEHONG BIO provides custom synthesis services for C21H18FN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.