BAS 12521552
TL;DR: BAS 12521552 (CAS 876900-19-5) is a chemical compound with molecular formula C17H18ClN5O2 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-chloro-2-methylphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BAS 12521552, 9-(3-chloro-2-methylphenyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, F2013-0622, 9-(3-chloro-2-methylphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-(3-Chloro-2-methylphenyl)-6,7,8,9-tetrahydro-1,3-dimethylpyrimido[2,1-f]purine-2,4(1H,3H)-dione
| Molecular Formula | C17H18ClN5O2 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 1.93732 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 359.1149 |
| Heavy Atoms | 25 |
| Complexity | 1124.7394 |
Chemical Identifiers
| CAS Number | 876900-19-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)C |
Product Overview
BAS 12521552 (CAS 876900-19-5), with molecular formula C17H18ClN5O2 and molecular weight 359.11 g/mol. IUPAC: 9-(3-chloro-2-methylphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of BAS 12521552
Property Insights of BAS 12521552
The XLogP value of 1.93732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521552. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521552. Following Lipinski's Rule of Five, BAS 12521552 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 12521552?
The CAS number of BAS 12521552 is 876900-19-5.
What is the molecular formula of BAS 12521552?
The molecular formula of BAS 12521552 is C17H18ClN5O2.
What is the molecular weight of BAS 12521552?
The molecular weight of BAS 12521552 is 359.11 g/mol.
Where can I buy BAS 12521552?
You can request a quote for BAS 12521552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521552?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.