A3957/0168617
TL;DR: A3957/0168617 (CAS 889969-05-5) is a chemical compound with molecular formula C27H29N5O4 and molecular weight 487.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: A3957/0168617, 8-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6-trimethyl-7-(4-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione, 8-(3,4-dimethoxyphenethyl)-1,3,6-trimethyl-7-(p-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-1,3,6-TRIMETHYL-7-(4-METHYLPHENYL)-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE
| Molecular Formula | C27H29N5O4 |
|---|---|
| Molecular Weight | 487.22 g/mol |
| LogP | 3.23014 |
| Topological Polar Surface Area | 84.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.22195 |
| Heavy Atoms | 36 |
| Complexity | 1735.4531 |
Chemical Identifiers
| CAS Number | 889969-05-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(N3C4=C(N=C3N2CCC5=CC(=C(C=C5)OC)OC)N(C(=O)N(C4=O)C)C)C |
Product Overview
A3957/0168617 (CAS 889969-05-5), with molecular formula C27H29N5O4 and molecular weight 487.22 g/mol. IUPAC: 6-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A3957/0168617
Property Insights of A3957/0168617
The XLogP value of 3.23014 indicates that A3957/0168617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.69 Ų falls within the moderate polarity range, balancing permeability and solubility for A3957/0168617. Following Lipinski's Rule of Five, A3957/0168617 has 0 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 A3957/0168617?
The CAS number of A3957/0168617 is 889969-05-5.
What is the molecular formula of A3957/0168617?
The molecular formula of A3957/0168617 is C27H29N5O4.
What is the molecular weight of A3957/0168617?
The molecular weight of A3957/0168617 is 487.22 g/mol.
Where can I buy A3957/0168617?
You can request a quote for A3957/0168617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3957/0168617?
Yes, KEHONG BIO provides custom synthesis services for A3957/0168617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.