8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine
TL;DR: 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine (CAS 17730-86-8) is a chemical compound with molecular formula C19H15FN6O3S2 and molecular weight 458.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-[(6-amino-7H-purin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
Also Known As: Sid 3734940, 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine, 8-(m-(m-Fluorosulfonylbenzamido)benzylthio)adenine, 3-[[3-[(6-amino-7H-purin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride, 3-((3-(((6-Amino-7H-purin-8-yl)thio)methyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride
| Molecular Formula | C19H15FN6O3S2 |
|---|---|
| Molecular Weight | 458.06 g/mol |
| LogP | 3.1379 |
| Topological Polar Surface Area | 143.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.0631 |
| Heavy Atoms | 31 |
| Complexity | 1390.4344 |
Chemical Identifiers
| CAS Number | 17730-86-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)F)CSC3=NC4=NC=NC(=C4N3)N |
Product Overview
8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine (CAS 17730-86-8), with molecular formula C19H15FN6O3S2 and molecular weight 458.06 g/mol. IUPAC: 3-[[3-[(6-amino-7H-purin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride.
Chemical Property Profile of 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine
Property Insights of 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine
The XLogP value of 3.1379 indicates that 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.72 Ų indicates high polarity, suggesting 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine 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 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine?
The CAS number of 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine is 17730-86-8.
What is the molecular formula of 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine?
The molecular formula of 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine is C19H15FN6O3S2.
What is the molecular weight of 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine?
The molecular weight of 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine is 458.06 g/mol.
Where can I buy 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine?
You can request a quote for 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine?
Yes, KEHONG BIO provides custom synthesis services for 8-(3-(3-Fluorosulfonylbenzamido)benzylthio)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.