![2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol structure](/static/products/5193/51932-88-8.webp)
2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol
TL;DR: 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol (CAS 51932-88-8) is a chemical compound with molecular formula C17H20N6O4S and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-aminopurin-9-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-3,4-diol
Also Known As: 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol, 2-[(6-aminopurin-9-yl)methyl]-1-(p-tolylsulfonyl)pyrrolidine-3,4-diol, 2-[(6-aminopurin-9-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-3,4-diol, 3,4-Pyrrolidinediol, 2-[(6-amino-9H-purin-9-yl)methyl]-1-[(4-methylphenyl)sulfonyl]-
| Molecular Formula | C17H20N6O4S |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.12668 |
| Heavy Atoms | 28 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 51932-88-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2CN3C=NC4=C(N=CN=C43)N)O)O |
| InChIKey | BMMZADRNMXZGCH-UHFFFAOYSA-N |
Product Overview
2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol (CAS 51932-88-8), with molecular formula C17H20N6O4S and molecular weight 404.13 g/mol. IUPAC: 2-[(6-aminopurin-9-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-3,4-diol.
Chemical Property Profile of 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol
Property Insights of 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol
The XLogP value of -0.5 indicates that 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol has 3 hydrogen bond donor(s) and 9 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 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol?
The CAS number of 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol is 51932-88-8.
What is the molecular formula of 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol?
The molecular formula of 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol is C17H20N6O4S.
What is the molecular weight of 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol?
The molecular weight of 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol is 404.13 g/mol.
Where can I buy 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol?
You can request a quote for 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Amino-9H-purin-9-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.