![3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride structure](/static/products/4244/42447-70-1.webp)
3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride
TL;DR: 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride (CAS 42447-70-1) is a chemical compound with molecular formula C19H15FN6O3S and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride
Also Known As: 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride, 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenes, 3-({[4-(6-Amino-7H-purin-8-yl)phenyl]methyl}carbamoyl)benzene-1-sulfonyl fluoride
| Molecular Formula | C19H15FN6O3S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.09103 |
| Heavy Atoms | 30 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 42447-70-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NCC2=CC=C(C=C2)C3=NC4=NC=NC(=C4N3)N |
| InChIKey | MBNJJIKEFZFEHE-UHFFFAOYSA-N |
Product Overview
3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride (CAS 42447-70-1), with molecular formula C19H15FN6O3S and molecular weight 426.09 g/mol. IUPAC: 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride.
Chemical Property Profile of 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride
Property Insights of 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride. The TPSA of 152.0 Ų indicates high polarity, suggesting 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]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 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
The CAS number of 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride is 42447-70-1.
What is the molecular formula of 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
The molecular formula of 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride is C19H15FN6O3S.
What is the molecular weight of 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
The molecular weight of 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride is 426.09 g/mol.
Where can I buy 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
You can request a quote for 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-[[4-(6-amino-7H-purin-8-yl)phenyl]methylcarbamoyl]benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.