BAS 12521744
TL;DR: BAS 12521744 (CAS 872628-23-4) is a chemical compound with molecular formula C23H22FN5O3 and molecular weight 435.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methyl]-9-(2-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BAS 12521744, VU0489650-1, 3-(4-fluorobenzyl)-9-(2-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, F1892-0077, 3-[(4-fluorophenyl)methyl]-9-(2-methoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
| Molecular Formula | C23H22FN5O3 |
|---|---|
| Molecular Weight | 435.17 g/mol |
| LogP | 2.6345 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.17065 |
| Heavy Atoms | 32 |
| Complexity | 1435.2771 |
Chemical Identifiers
| CAS Number | 872628-23-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)F)N4CCCN(C4=N2)C5=CC=CC=C5OC |
Product Overview
BAS 12521744 (CAS 872628-23-4), with molecular formula C23H22FN5O3 and molecular weight 435.17 g/mol. IUPAC: 3-[(4-fluorophenyl)methyl]-9-(2-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of BAS 12521744
Property Insights of BAS 12521744
The XLogP value of 2.6345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521744. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521744. Following Lipinski's Rule of Five, BAS 12521744 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 12521744?
The CAS number of BAS 12521744 is 872628-23-4.
What is the molecular formula of BAS 12521744?
The molecular formula of BAS 12521744 is C23H22FN5O3.
What is the molecular weight of BAS 12521744?
The molecular weight of BAS 12521744 is 435.17 g/mol.
Where can I buy BAS 12521744?
You can request a quote for BAS 12521744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521744?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.