8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
TL;DR: 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione (CAS 376623-96-0) is a chemical compound with molecular formula C20H27N5O2 and molecular weight 369.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5831705:001, BAS 03182744, 8-(butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione, 8-(sec-butylamino)-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-8-[(methylpropyl)amino]-7-(3-phenylpropyl)-1,3,7-trihydropurine-2 ,6-dione
| Molecular Formula | C20H27N5O2 |
|---|---|
| Molecular Weight | 369.22 g/mol |
| LogP | 2.2769 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.21646 |
| Heavy Atoms | 27 |
| Complexity | 1046.1498 |
Chemical Identifiers
| CAS Number | 376623-96-0 |
|---|---|
| SMILES | CCC(C)NC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C |
Product Overview
8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione (CAS 376623-96-0), with molecular formula C20H27N5O2 and molecular weight 369.22 g/mol. IUPAC: 8-(butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
Property Insights of 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
The XLogP value of 2.2769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione has 1 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-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione?
The CAS number of 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione is 376623-96-0.
What is the molecular formula of 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione?
The molecular formula of 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione is C20H27N5O2.
What is the molecular weight of 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione?
The molecular weight of 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione is 369.22 g/mol.
Where can I buy 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione?
You can request a quote for 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)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-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Butan-2-ylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.