7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione (CAS 378208-99-2) is a chemical compound with molecular formula C18H21N5O2 and molecular weight 339.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(2-phenylethylamino)-7-prop-2-enylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5733463:001, 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione, 7-allyl-1,3-dimethyl-8-(phenethylamino)xanthine, AB00402043-04, F1167-0064
| Molecular Formula | C18H21N5O2 |
|---|---|
| Molecular Weight | 339.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.16953 |
| Heavy Atoms | 25 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 378208-99-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC=C |
| InChIKey | GMZFNHMEVCUFRT-UHFFFAOYSA-N |
Product Overview
7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione (CAS 378208-99-2), with molecular formula C18H21N5O2 and molecular weight 339.17 g/mol. IUPAC: 1,3-dimethyl-8-(2-phenylethylamino)-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-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-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione is 378208-99-2.
What is the molecular formula of 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione is C18H21N5O2.
What is the molecular weight of 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione is 339.17 g/mol.
Where can I buy 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-allyl-1,3-dimethyl-8-(phenethylamino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.