1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione (CAS 370074-63-8) is a chemical compound with molecular formula C17H18FN5O2 and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(prop-2-enylamino)purine-2,6-dione
Also Known As: 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione, 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(prop-2-enylamino)purine-2,6-dione, 8-(allylamino)-1-(2-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H18FN5O2 |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 1.219 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.14444 |
| Heavy Atoms | 25 |
| Complexity | 1077.0574 |
Chemical Identifiers
| CAS Number | 370074-63-8 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)CC3=CC=CC=C3F)C |
Product Overview
1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione (CAS 370074-63-8), with molecular formula C17H18FN5O2 and molecular weight 343.14 g/mol. IUPAC: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(prop-2-enylamino)purine-2,6-dione.
Chemical Property Profile of 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-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 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione is 370074-63-8.
What is the molecular formula of 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione is C17H18FN5O2.
What is the molecular weight of 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione is 343.14 g/mol.
Where can I buy 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-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 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.