BAS 12521739
TL;DR: BAS 12521739 (CAS 876901-28-9) is a chemical compound with molecular formula C20H23N5O4 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1,7-dimethyl-9-(2-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: BAS 12521739, VU0489979-1, F2013-0916, methyl 2-(1,7-dimethyl-2,4-dioxo-9-(o-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate, methyl 2-[1,7-dimethyl-9-(2-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
| Molecular Formula | C20H23N5O4 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 1.16592 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.17502 |
| Heavy Atoms | 29 |
| Complexity | 1236.123 |
Chemical Identifiers
| CAS Number | 876901-28-9 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=O)OC)C4=CC=CC=C4C |
Product Overview
BAS 12521739 (CAS 876901-28-9), with molecular formula C20H23N5O4 and molecular weight 397.18 g/mol. IUPAC: methyl 2-[1,7-dimethyl-9-(2-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of BAS 12521739
Property Insights of BAS 12521739
The XLogP value of 1.16592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521739. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521739. Following Lipinski's Rule of Five, BAS 12521739 has 0 hydrogen bond donor(s) and 6 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 12521739?
The CAS number of BAS 12521739 is 876901-28-9.
What is the molecular formula of BAS 12521739?
The molecular formula of BAS 12521739 is C20H23N5O4.
What is the molecular weight of BAS 12521739?
The molecular weight of BAS 12521739 is 397.18 g/mol.
Where can I buy BAS 12521739?
You can request a quote for BAS 12521739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521739?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.