![1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate structure](/static/products/131/13164-37-9.png)
1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate
TL;DR: 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate (CAS 13164-37-9) is a chemical compound with molecular formula C18H22N6O7 and molecular weight 434.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-acetyl-3,4-diacetyloxy-5-(6-aminopurin-9-yl)pyrrolidin-2-yl]methyl acetate
Also Known As: 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate, [1-acetyl-3,4-diacetyloxy-5-(6-aminopurin-9-yl)pyrrolidin-2-yl]methyl acetate, [3,4-diacetoxy-1-acetyl-5-(6-aminopurin-9-yl)pyrrolidin-2-yl]methyl acetate, 3,4-Pyrrolidinediol, 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9H-purin-9-yl)-, diacetate (ester)
| Molecular Formula | C18H22N6O7 |
|---|---|
| Molecular Weight | 434.15 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.155 |
| Heavy Atoms | 31 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 13164-37-9 |
|---|---|
| SMILES | CC(=O)N1C(C(C(C1N2C=NC3=C(N=CN=C32)N)OC(=O)C)OC(=O)C)COC(=O)C |
| InChIKey | BFPSTZZUEPACCS-UHFFFAOYSA-N |
Product Overview
1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate (CAS 13164-37-9), with molecular formula C18H22N6O7 and molecular weight 434.15 g/mol. IUPAC: [1-acetyl-3,4-diacetyloxy-5-(6-aminopurin-9-yl)pyrrolidin-2-yl]methyl acetate.
Chemical Property Profile of 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate
Property Insights of 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate
The XLogP value of -1.1 indicates that 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate?
The CAS number of 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate is 13164-37-9.
What is the molecular formula of 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate?
The molecular formula of 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate is C18H22N6O7.
What is the molecular weight of 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate?
The molecular weight of 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate is 434.15 g/mol.
Where can I buy 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate?
You can request a quote for 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-acetyl-2-[(acetyloxy)methyl]-5-(6-amino-9h-purin-9-yl)pyrrolidine-3,4-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.