BAS 12663576
TL;DR: BAS 12663576 (CAS 878413-47-9) is a chemical compound with molecular formula C18H17Cl2N5O2 and molecular weight 405.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12663576, AB00775296-01, 3-(2,4-dichlorobenzyl)-1,6,7,8-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 2-[(2,4-dichlorophenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione, 3-[(2,4-dichlorophenyl)methyl]-1,6,7,8-tetramethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C18H17Cl2N5O2 |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | 2.65834 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.07593 |
| Heavy Atoms | 27 |
| Complexity | 1356.8187 |
Chemical Identifiers
| CAS Number | 878413-47-9 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C)N(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)C)C |
Product Overview
BAS 12663576 (CAS 878413-47-9), with molecular formula C18H17Cl2N5O2 and molecular weight 405.08 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12663576
Property Insights of BAS 12663576
The XLogP value of 2.65834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12663576. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12663576. Following Lipinski's Rule of Five, BAS 12663576 has 0 hydrogen bond donor(s) and 3 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 12663576?
The CAS number of BAS 12663576 is 878413-47-9.
What is the molecular formula of BAS 12663576?
The molecular formula of BAS 12663576 is C18H17Cl2N5O2.
What is the molecular weight of BAS 12663576?
The molecular weight of BAS 12663576 is 405.08 g/mol.
Where can I buy BAS 12663576?
You can request a quote for BAS 12663576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12663576?
Yes, KEHONG BIO provides custom synthesis services for BAS 12663576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.