BAS 12521551
TL;DR: BAS 12521551 (CAS 876900-16-2) is a chemical compound with molecular formula C16H16ClN5O2 and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-chloro-2-methylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BAS 12521551, 9-(3-chloro-2-methylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(3-chloro-2-methylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, F2013-0621, 9-(3-chloro-2-methylphenyl)-1-methyl-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydro ino[1,2-h]purine-2,4-dione
| Molecular Formula | C16H16ClN5O2 |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 1.92692 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.09924 |
| Heavy Atoms | 24 |
| Complexity | 1078.4869 |
Chemical Identifiers
| CAS Number | 876900-16-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2CCCN3C2=NC4=C3C(=O)NC(=O)N4C |
Product Overview
BAS 12521551 (CAS 876900-16-2), with molecular formula C16H16ClN5O2 and molecular weight 345.10 g/mol. IUPAC: 9-(3-chloro-2-methylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of BAS 12521551
Property Insights of BAS 12521551
The XLogP value of 1.92692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521551. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521551. Following Lipinski's Rule of Five, BAS 12521551 has 1 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 12521551?
The CAS number of BAS 12521551 is 876900-16-2.
What is the molecular formula of BAS 12521551?
The molecular formula of BAS 12521551 is C16H16ClN5O2.
What is the molecular weight of BAS 12521551?
The molecular weight of BAS 12521551 is 345.10 g/mol.
Where can I buy BAS 12521551?
You can request a quote for BAS 12521551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521551?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.