BAS 12522344
TL;DR: BAS 12522344 (CAS 872840-46-5) is a chemical compound with molecular formula C19H21N5O2 and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-ethylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12522344, 3-allyl-8-(4-ethylphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione, 6-(4-ethylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 8-(4-ETHYLPHENYL)-1-METHYL-3-(PROP-2-EN-1-YL)-1H,2H,3H,4H,6H,7H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE, 8-(4-ethylphenyl)-1-methyl-3-(prop-2-en-1-yl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
| Molecular Formula | C19H21N5O2 |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 1.7968 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.16953 |
| Heavy Atoms | 26 |
| Complexity | 1118.0126 |
Chemical Identifiers
| CAS Number | 872840-46-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C |
Product Overview
BAS 12522344 (CAS 872840-46-5), with molecular formula C19H21N5O2 and molecular weight 351.17 g/mol. IUPAC: 6-(4-ethylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12522344
Property Insights of BAS 12522344
The XLogP value of 1.7968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12522344. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12522344. Following Lipinski's Rule of Five, BAS 12522344 has 0 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 BAS 12522344?
The CAS number of BAS 12522344 is 872840-46-5.
What is the molecular formula of BAS 12522344?
The molecular formula of BAS 12522344 is C19H21N5O2.
What is the molecular weight of BAS 12522344?
The molecular weight of BAS 12522344 is 351.17 g/mol.
Where can I buy BAS 12522344?
You can request a quote for BAS 12522344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12522344?
Yes, KEHONG BIO provides custom synthesis services for BAS 12522344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.