7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 376381-98-5) is a chemical compound with molecular formula C16H25N5O2 and molecular weight 319.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(3-methylbutyl)-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 03058593, 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-(3-methylbutyl)-8-pyrrolidin-1-ylpurine-2,6-dione, 1,3-Dimethyl-7-(3-methyl-butyl)-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione, 1,3-dimethyl-7-(3-methylbutyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H25N5O2 |
|---|---|
| Molecular Weight | 319.20 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.20084 |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 376381-98-5 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)C)C |
| InChIKey | SAPHQZKXKAKBRV-UHFFFAOYSA-N |
Product Overview
7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 376381-98-5), with molecular formula C16H25N5O2 and molecular weight 319.20 g/mol. IUPAC: 1,3-dimethyl-7-(3-methylbutyl)-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 4 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 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 376381-98-5.
What is the molecular formula of 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is C16H25N5O2.
What is the molecular weight of 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 319.20 g/mol.
Where can I buy 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-isopentyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.