BAS 12521662
TL;DR: BAS 12521662 (CAS 876900-91-3) 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-chlorophenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide
Also Known As: BAS 12521662, F2013-0770, 2-[9-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide, 2-(9-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetamide, 2-[9-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diaza perhydroino[1,2-h]purin-3-yl]acetamide
| Molecular Formula | C18H19ClN6O3 |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 0.8232 |
| 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 | 1224.5096 |
Chemical Identifiers
| CAS Number | 876900-91-3 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=O)N)C4=CC(=CC=C4)Cl |
Product Overview
BAS 12521662 (CAS 876900-91-3), with molecular formula C18H19ClN6O3 and molecular weight 402.12 g/mol. IUPAC: 2-[9-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide.
Chemical Property Profile of BAS 12521662
Property Insights of BAS 12521662
The XLogP value of 0.8232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521662. The TPSA of 108.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521662. Following Lipinski's Rule of Five, BAS 12521662 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 12521662?
The CAS number of BAS 12521662 is 876900-91-3.
What is the molecular formula of BAS 12521662?
The molecular formula of BAS 12521662 is C18H19ClN6O3.
What is the molecular weight of BAS 12521662?
The molecular weight of BAS 12521662 is 402.12 g/mol.
Where can I buy BAS 12521662?
You can request a quote for BAS 12521662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521662?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.