7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
TL;DR: 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (CAS 24890-70-8) is a chemical compound with molecular formula C17H21N5O2 and molecular weight 327.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(benzylamino)propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(3-benzylaminopropyl)-theophylline, 7-[3-(Benzylamino)propyl]theophylline, 7-(N-Benzyl-3-aminopropyl)theophylline, 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, 7-[3-(benzylamino)propyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C17H21N5O2 |
|---|---|
| Molecular Weight | 327.17 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.16953 |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 24890-70-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC3=CC=CC=C3 |
| InChIKey | OVKWXBYMGXFCRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (CAS 24890-70-8), with molecular formula C17H21N5O2 and molecular weight 327.17 g/mol. IUPAC: 7-[3-(benzylamino)propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Property Insights of 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-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 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The CAS number of 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is 24890-70-8.
What is the molecular formula of 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The molecular formula of 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is C17H21N5O2.
What is the molecular weight of 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The molecular weight of 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is 327.17 g/mol.
Where can I buy 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
You can request a quote for 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-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 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.