![4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride structure](/static/products/1772/17720-50-2.webp)
4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride
TL;DR: 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride (CAS 17720-50-2) is a chemical compound with molecular formula C18H13FN6O3S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride
Also Known As: 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride, 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carba, 4-{[3-(4-Amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl}benzene-1-sulfonyl fluoride
| Molecular Formula | C18H13FN6O3S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.07538 |
| Heavy Atoms | 29 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 17720-50-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)F)C3=NC(=C4C=NNC4=N3)N |
| InChIKey | PTWUHORTXDKVEH-UHFFFAOYSA-N |
Product Overview
4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride (CAS 17720-50-2), with molecular formula C18H13FN6O3S and molecular weight 412.08 g/mol. IUPAC: 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride.
Chemical Property Profile of 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride
Property Insights of 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride. The TPSA of 152.0 Ų indicates high polarity, suggesting 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride has 3 hydrogen bond donor(s) and 8 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 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride?
The CAS number of 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride is 17720-50-2.
What is the molecular formula of 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride?
The molecular formula of 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride is C18H13FN6O3S.
What is the molecular weight of 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride?
The molecular weight of 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride is 412.08 g/mol.
Where can I buy 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride?
You can request a quote for 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.