8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 376383-81-2) is a chemical compound with molecular formula C15H25N5O2 and molecular weight 307.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: BAS 03301891, 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00397594-05, 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione, F1167-0009
| Molecular Formula | C15H25N5O2 |
|---|---|
| Molecular Weight | 307.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.20084 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 376383-81-2 |
|---|---|
| SMILES | CCC(C)NC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C |
| InChIKey | WYBRTCRHCYZPKM-UHFFFAOYSA-N |
Product Overview
8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 376383-81-2), with molecular formula C15H25N5O2 and molecular weight 307.20 g/mol. IUPAC: 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 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 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 376383-81-2.
What is the molecular formula of 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is C15H25N5O2.
What is the molecular weight of 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 307.20 g/mol.
Where can I buy 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(sec-butylamino)-7-isopentyl-3-methyl-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 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(sec-butylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.