BAS 12663427
TL;DR: BAS 12663427 (CAS 878720-68-4) is a chemical compound with molecular formula C17H21N5O4 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4,7,8-trimethyl-1,3-dioxo-6-prop-2-enylpurino[7,8-a]imidazol-2-yl)propanoate
Also Known As: BAS 12663427, F2583-0720, methyl 2-(4,7,8-trimethyl-1,3-dioxo-6-prop-2-enylpurino[7,8-a]imidazol-2-yl)propanoate, methyl 2-(1,6,7-trimethyl-2,4-dioxo-8-prop-2-enyl-1,3,5-trihydro-4-imidazolino [1,2-h]purin-3-yl)propanoate, methyl 2-(8-allyl-1,6,7-trimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)propanoate
| Molecular Formula | C17H21N5O4 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 0.68624 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.15936 |
| Heavy Atoms | 26 |
| Complexity | 1174.3787 |
Chemical Identifiers
| CAS Number | 878720-68-4 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)C(C)C(=O)OC)C)C |
Product Overview
BAS 12663427 (CAS 878720-68-4), with molecular formula C17H21N5O4 and molecular weight 359.16 g/mol. IUPAC: methyl 2-(4,7,8-trimethyl-1,3-dioxo-6-prop-2-enylpurino[7,8-a]imidazol-2-yl)propanoate.
Chemical Property Profile of BAS 12663427
Property Insights of BAS 12663427
The XLogP value of 0.68624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12663427. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12663427. Following Lipinski's Rule of Five, BAS 12663427 has 0 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 12663427?
The CAS number of BAS 12663427 is 878720-68-4.
What is the molecular formula of BAS 12663427?
The molecular formula of BAS 12663427 is C17H21N5O4.
What is the molecular weight of BAS 12663427?
The molecular weight of BAS 12663427 is 359.16 g/mol.
Where can I buy BAS 12663427?
You can request a quote for BAS 12663427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12663427?
Yes, KEHONG BIO provides custom synthesis services for BAS 12663427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.