RefChem:1064554
TL;DR: RefChem:1064554 (CAS 106465-41-2) is a chemical compound with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid
Also Known As: (E)-4-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid, 2-Propenoic acid, 3-(4-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)phenyl)-, (E)-, (E)-3-(4-(2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)phenyl)-2-propenoic acid, (E)-3-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid, (E)-4-(1,2,3,6-tetrahydro-1,3,-dimethyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid
| Molecular Formula | C16H14N4O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 0.7251 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1015 |
| Heavy Atoms | 24 |
| Complexity | 1084.1934 |
Chemical Identifiers
| CAS Number | 106465-41-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)/C=C/C(=O)O |
Product Overview
RefChem:1064554 (CAS 106465-41-2), with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol. IUPAC: (E)-3-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid.
Chemical Property Profile of RefChem:1064554
Property Insights of RefChem:1064554
The XLogP value of 0.7251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1064554. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064554. Following Lipinski's Rule of Five, RefChem:1064554 has 2 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 RefChem:1064554?
The CAS number of RefChem:1064554 is 106465-41-2.
What is the molecular formula of RefChem:1064554?
The molecular formula of RefChem:1064554 is C16H14N4O4.
What is the molecular weight of RefChem:1064554?
The molecular weight of RefChem:1064554 is 326.10 g/mol.
Where can I buy RefChem:1064554?
You can request a quote for RefChem:1064554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064554?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.