![4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride structure](/static/products/4244/42447-72-3.webp)
4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride
TL;DR: 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride (CAS 42447-72-3) is a chemical compound with molecular formula C21H19FN6O3S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride
Also Known As: 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride, 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopro, 4-[2-[[4-(6-Amino-7h-purin-8-yl)phenyl]methylcarbamoyl]ethyl]benzenesulfonyl fluoride, 4-[3-({[4-(6-Amino-7H-purin-8-yl)phenyl]methyl}amino)-3-oxopropyl]benzene-1-sulfonyl fluoride
| Molecular Formula | C21H19FN6O3S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.12234 |
| Heavy Atoms | 32 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 42447-72-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)NCC2=CC=C(C=C2)C3=NC4=NC=NC(=C4N3)N)S(=O)(=O)F |
| InChIKey | UMKASRNVZRCYAD-UHFFFAOYSA-N |
Product Overview
4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride (CAS 42447-72-3), with molecular formula C21H19FN6O3S and molecular weight 454.12 g/mol. IUPAC: 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride.
Chemical Property Profile of 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride
Property Insights of 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride
The XLogP value of 3.1 indicates that 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]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-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride?
The CAS number of 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride is 42447-72-3.
What is the molecular formula of 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride?
The molecular formula of 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride is C21H19FN6O3S.
What is the molecular weight of 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride?
The molecular weight of 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride is 454.12 g/mol.
Where can I buy 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride?
You can request a quote for 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]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-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylamino]-3-oxopropyl]benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.