BAS 12521695
TL;DR: BAS 12521695 (CAS 876901-06-3) is a chemical compound with molecular formula C21H24ClN5O4 and molecular weight 445.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: BAS 12521695, UPCMLD0ENAT5878475:001, F2013-0857, ethyl 2-(9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate, ethyl 2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
| Molecular Formula | C21H24ClN5O4 |
|---|---|
| Molecular Weight | 445.15 g/mol |
| LogP | 2.20942 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.15167 |
| Heavy Atoms | 31 |
| Complexity | 1305.8131 |
Chemical Identifiers
| CAS Number | 876901-06-3 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N=C3N2CC(CN3C4=C(C(=CC=C4)Cl)C)C)N(C1=O)C |
Product Overview
BAS 12521695 (CAS 876901-06-3), with molecular formula C21H24ClN5O4 and molecular weight 445.15 g/mol. IUPAC: ethyl 2-[9-(3-chloro-2-methylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of BAS 12521695
Property Insights of BAS 12521695
The XLogP value of 2.20942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521695. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521695. Following Lipinski's Rule of Five, BAS 12521695 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 12521695?
The CAS number of BAS 12521695 is 876901-06-3.
What is the molecular formula of BAS 12521695?
The molecular formula of BAS 12521695 is C21H24ClN5O4.
What is the molecular weight of BAS 12521695?
The molecular weight of BAS 12521695 is 445.15 g/mol.
Where can I buy BAS 12521695?
You can request a quote for BAS 12521695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521695?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.