![8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/5164/516455-45-1.webp)
8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 516455-45-1) is a chemical compound with molecular formula C13H21N5O3 and molecular weight 295.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(3-propan-2-yloxypropylamino)-7H-purine-2,6-dione
Also Known As: VU0630752-1, 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, AJ-292/42035012, 1,3-dimethyl-8-(3-propan-2-yloxypropylamino)-7H-purine-2,6-dione, 8-((3-isopropoxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C13H21N5O3 |
|---|---|
| Molecular Weight | 295.16 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.16443 |
| Heavy Atoms | 21 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 516455-45-1 |
|---|---|
| SMILES | CC(C)OCCCNC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | MCSBUCCPANVFQA-UHFFFAOYSA-N |
Product Overview
8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 516455-45-1), with molecular formula C13H21N5O3 and molecular weight 295.16 g/mol. IUPAC: 1,3-dimethyl-8-(3-propan-2-yloxypropylamino)-7H-purine-2,6-dione.
Chemical Property Profile of 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-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-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 516455-45-1.
What is the molecular formula of 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C13H21N5O3.
What is the molecular weight of 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 295.16 g/mol.
Where can I buy 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-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-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.