BAS 12522662
TL;DR: BAS 12522662 (CAS 876901-52-9) is a chemical compound with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-(4-ethylphenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
Also Known As: BAS 12522662, ethyl 2-[6-(4-ethylphenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate, ethyl 2-[8-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1,3,5-trihydro-4-imidazolino [1,2-h]purin-3-yl]acetate, ethyl 2-[8-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-3-yl]acetate
| Molecular Formula | C21H23N5O4 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 1.57252 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.17502 |
| Heavy Atoms | 30 |
| Complexity | 1385.7874 |
Chemical Identifiers
| CAS Number | 876901-52-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OCC)C |
Product Overview
BAS 12522662 (CAS 876901-52-9), with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol. IUPAC: ethyl 2-[6-(4-ethylphenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate.
Chemical Property Profile of BAS 12522662
Property Insights of BAS 12522662
The XLogP value of 1.57252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12522662. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12522662. Following Lipinski's Rule of Five, BAS 12522662 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 BAS 12522662?
The CAS number of BAS 12522662 is 876901-52-9.
What is the molecular formula of BAS 12522662?
The molecular formula of BAS 12522662 is C21H23N5O4.
What is the molecular weight of BAS 12522662?
The molecular weight of BAS 12522662 is 409.18 g/mol.
Where can I buy BAS 12522662?
You can request a quote for BAS 12522662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12522662?
Yes, KEHONG BIO provides custom synthesis services for BAS 12522662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.