A2857/0120469
TL;DR: A2857/0120469 (CAS 442673-04-3) is a chemical compound with molecular formula C20H21N5O4 and molecular weight 395.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)butanoate
Also Known As: A2857/0120469, methyl 4-(1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl)butanoate, methyl 4-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)butanoate, methyl 4-(1,3-dimethyl-2,4-dioxo-7-phenyl-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)butanoate, METHYL 4-{1,3-DIMETHYL-2,4-DIOXO-7-PHENYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURIN-8-YL}BUTANOATE
| Molecular Formula | C20H21N5O4 |
|---|---|
| Molecular Weight | 395.16 g/mol |
| LogP | 1.3066 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.15936 |
| Heavy Atoms | 29 |
| Complexity | 1340.953 |
Chemical Identifiers
| CAS Number | 442673-04-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCC(=O)OC)C4=CC=CC=C4 |
Product Overview
A2857/0120469 (CAS 442673-04-3), with molecular formula C20H21N5O4 and molecular weight 395.16 g/mol. IUPAC: methyl 4-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)butanoate.
Chemical Property Profile of A2857/0120469
Property Insights of A2857/0120469
The XLogP value of 1.3066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2857/0120469. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for A2857/0120469. Following Lipinski's Rule of Five, A2857/0120469 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 A2857/0120469?
The CAS number of A2857/0120469 is 442673-04-3.
What is the molecular formula of A2857/0120469?
The molecular formula of A2857/0120469 is C20H21N5O4.
What is the molecular weight of A2857/0120469?
The molecular weight of A2857/0120469 is 395.16 g/mol.
Where can I buy A2857/0120469?
You can request a quote for A2857/0120469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2857/0120469?
Yes, KEHONG BIO provides custom synthesis services for A2857/0120469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.