8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476481-63-7) is a chemical compound with molecular formula C18H23N5O3 and molecular weight 357.18 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-(2-phenoxyethyl)purine-2,6-dione
Also Known As: BAS 06503045, 8-(sec-Butylamino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione, 8-(SEC-BUTYLAMINO)-3-METHYL-7-(2-PHENOXYETHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 3,7-Dihydro-3-methyl-8-[(1-methylpropyl)amino]-7-(2-phenoxyethyl)-1H-purine-2,6-dione, 8-(butan-2-ylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
| Molecular Formula | C18H23N5O3 |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 1.7127 |
| Topological Polar Surface Area | 93.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.18008 |
| Heavy Atoms | 26 |
| Complexity | 1003.32385 |
Chemical Identifiers
| CAS Number | 476481-63-7 |
|---|---|
| SMILES | CCC(C)NC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C |
Product Overview
8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476481-63-7), with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol. IUPAC: 8-(butan-2-ylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione.
Chemical Property Profile of 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.7127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 93.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 5 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)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione is 476481-63-7.
What is the molecular formula of 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione is C18H23N5O3.
What is the molecular weight of 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione is 357.18 g/mol.
Where can I buy 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-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)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.