BAS 12521536
TL;DR: BAS 12521536 (CAS 876899-94-4) is a chemical compound with molecular formula C18H18ClN5O2 and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-chlorophenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BAS 12521536, 3-allyl-9-(3-chlorophenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, F2013-0539, 9-(3-chlorophenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-(3-chlorophenyl)-1-methyl-3-(prop-2-en-1-yl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
| Molecular Formula | C18H18ClN5O2 |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 2.2779 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.1149 |
| Heavy Atoms | 26 |
| Complexity | 1140.9146 |
Chemical Identifiers
| CAS Number | 876899-94-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC=C)N3CCCN(C3=N2)C4=CC(=CC=C4)Cl |
Product Overview
BAS 12521536 (CAS 876899-94-4), with molecular formula C18H18ClN5O2 and molecular weight 371.11 g/mol. IUPAC: 9-(3-chlorophenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of BAS 12521536
Property Insights of BAS 12521536
The XLogP value of 2.2779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521536. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521536. Following Lipinski's Rule of Five, BAS 12521536 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 12521536?
The CAS number of BAS 12521536 is 876899-94-4.
What is the molecular formula of BAS 12521536?
The molecular formula of BAS 12521536 is C18H18ClN5O2.
What is the molecular weight of BAS 12521536?
The molecular weight of BAS 12521536 is 371.11 g/mol.
Where can I buy BAS 12521536?
You can request a quote for BAS 12521536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521536?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.