AB00988618-01
TL;DR: AB00988618-01 (CAS 714941-68-1) is a chemical compound with molecular formula C15H14ClN5O2 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: AB00988618-01, 9-(4-chlorophenyl)-4-hydroxy-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one, 9-(4-chlorophenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 9-(4-chlorophenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(4-chlorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
| Molecular Formula | C15H14ClN5O2 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 1.6185 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.0836 |
| Heavy Atoms | 23 |
| Complexity | 1015.2538 |
Chemical Identifiers
| CAS Number | 714941-68-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N3CCCN(C3=N2)C4=CC=C(C=C4)Cl |
Product Overview
AB00988618-01 (CAS 714941-68-1), with molecular formula C15H14ClN5O2 and molecular weight 331.08 g/mol. IUPAC: 9-(4-chlorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of AB00988618-01
Property Insights of AB00988618-01
The XLogP value of 1.6185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00988618-01. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00988618-01. Following Lipinski's Rule of Five, AB00988618-01 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 AB00988618-01?
The CAS number of AB00988618-01 is 714941-68-1.
What is the molecular formula of AB00988618-01?
The molecular formula of AB00988618-01 is C15H14ClN5O2.
What is the molecular weight of AB00988618-01?
The molecular weight of AB00988618-01 is 331.08 g/mol.
Where can I buy AB00988618-01?
You can request a quote for AB00988618-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00988618-01?
Yes, KEHONG BIO provides custom synthesis services for AB00988618-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.