A3958/0168636
TL;DR: A3958/0168636 (CAS 889970-23-4) is a chemical compound with molecular formula C28H31N5O4 and molecular weight 501.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(3,4-diethoxyphenyl)ethyl]-2,4,8-trimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
Also Known As: A3958/0168636, 6-[2-(3,4-diethoxyphenyl)ethyl]-2,4,8-trimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione, 8-(3,4-DIETHOXYPHENETHYL)-1,3,6-TRIMETHYL-7-PHENYL-1H-IMIDAZO[2,1-F]PURINE-2,4(3H,8H)-DIONE, 8-[2-(3,4-diethoxyphenyl)ethyl]-1,3,6-trimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C28H31N5O4 |
|---|---|
| Molecular Weight | 501.24 g/mol |
| LogP | 3.70192 |
| Topological Polar Surface Area | 84.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.2376 |
| Heavy Atoms | 37 |
| Complexity | 1723.703 |
Chemical Identifiers
| CAS Number | 889970-23-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CCN2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)C)C)C5=CC=CC=C5)OCC |
Product Overview
A3958/0168636 (CAS 889970-23-4), with molecular formula C28H31N5O4 and molecular weight 501.24 g/mol. IUPAC: 6-[2-(3,4-diethoxyphenyl)ethyl]-2,4,8-trimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A3958/0168636
Property Insights of A3958/0168636
The XLogP value of 3.70192 indicates that A3958/0168636 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 A3958/0168636. Following Lipinski's Rule of Five, A3958/0168636 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3958/0168636?
The CAS number of A3958/0168636 is 889970-23-4.
What is the molecular formula of A3958/0168636?
The molecular formula of A3958/0168636 is C28H31N5O4.
What is the molecular weight of A3958/0168636?
The molecular weight of A3958/0168636 is 501.24 g/mol.
Where can I buy A3958/0168636?
You can request a quote for A3958/0168636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3958/0168636?
Yes, KEHONG BIO provides custom synthesis services for A3958/0168636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.