A3958/0168635
TL;DR: A3958/0168635 (CAS 889970-15-4) is a chemical compound with molecular formula C26H27N5O4 and molecular weight 473.21 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-phenylpurino[7,8-a]imidazole-1,3-dione
Also Known As: A3958/0168635, 8-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6-trimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,8-trimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione, 8-(3,4-dimethoxyphenethyl)-1,3,6-trimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-1,3,6-TRIMETHYL-7-PHENYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE
| Molecular Formula | C26H27N5O4 |
|---|---|
| Molecular Weight | 473.21 g/mol |
| LogP | 2.92172 |
| Topological Polar Surface Area | 84.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.2063 |
| Heavy Atoms | 35 |
| Complexity | 1689.1133 |
Chemical Identifiers
| CAS Number | 889970-15-4 |
|---|---|
| SMILES | CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5 |
Product Overview
A3958/0168635 (CAS 889970-15-4), with molecular formula C26H27N5O4 and molecular weight 473.21 g/mol. IUPAC: 6-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,8-trimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of A3958/0168635
Property Insights of A3958/0168635
The XLogP value of 2.92172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3958/0168635. The TPSA of 84.69 Ų falls within the moderate polarity range, balancing permeability and solubility for A3958/0168635. Following Lipinski's Rule of Five, A3958/0168635 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 A3958/0168635?
The CAS number of A3958/0168635 is 889970-15-4.
What is the molecular formula of A3958/0168635?
The molecular formula of A3958/0168635 is C26H27N5O4.
What is the molecular weight of A3958/0168635?
The molecular weight of A3958/0168635 is 473.21 g/mol.
Where can I buy A3958/0168635?
You can request a quote for A3958/0168635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3958/0168635?
Yes, KEHONG BIO provides custom synthesis services for A3958/0168635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.