BAS 12521572
TL;DR: BAS 12521572 (CAS 876900-37-7) is a chemical compound with molecular formula C18H19ClN6O3 and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-(3-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide
Also Known As: BAS 12521572, VU0489920-1, F2013-0650, 2-[9-(3-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide, 2-(9-(3-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetamide
| Molecular Formula | C18H19ClN6O3 |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 0.88562 |
| Topological Polar Surface Area | 108.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.12073 |
| Heavy Atoms | 28 |
| Complexity | 1238.8175 |
Chemical Identifiers
| CAS Number | 876900-37-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)N |
Product Overview
BAS 12521572 (CAS 876900-37-7), with molecular formula C18H19ClN6O3 and molecular weight 402.12 g/mol. IUPAC: 2-[9-(3-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide.
Chemical Property Profile of BAS 12521572
Property Insights of BAS 12521572
The XLogP value of 0.88562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521572. The TPSA of 108.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521572. Following Lipinski's Rule of Five, BAS 12521572 has 1 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 12521572?
The CAS number of BAS 12521572 is 876900-37-7.
What is the molecular formula of BAS 12521572?
The molecular formula of BAS 12521572 is C18H19ClN6O3.
What is the molecular weight of BAS 12521572?
The molecular weight of BAS 12521572 is 402.12 g/mol.
Where can I buy BAS 12521572?
You can request a quote for BAS 12521572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521572?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.