BAS 13029981
TL;DR: BAS 13029981 (CAS 878732-08-2) is a chemical compound with molecular formula C20H22N6O3 and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(2,3-dimethylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide
Also Known As: BAS 13029981, VU0492562-1, AB00682984-01, F3124-0410, 2-[6-(2,3-dimethylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide
| Molecular Formula | C20H22N6O3 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 0.85758 |
| Topological Polar Surface Area | 109.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.17532 |
| Heavy Atoms | 29 |
| Complexity | 1447.6521 |
Chemical Identifiers
| CAS Number | 878732-08-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)N)C)C)C |
Product Overview
BAS 13029981 (CAS 878732-08-2), with molecular formula C20H22N6O3 and molecular weight 394.18 g/mol. IUPAC: 2-[6-(2,3-dimethylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide.
Chemical Property Profile of BAS 13029981
Property Insights of BAS 13029981
The XLogP value of 0.85758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13029981. The TPSA of 109.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13029981. Following Lipinski's Rule of Five, BAS 13029981 has 1 hydrogen bond donor(s) and 4 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 13029981?
The CAS number of BAS 13029981 is 878732-08-2.
What is the molecular formula of BAS 13029981?
The molecular formula of BAS 13029981 is C20H22N6O3.
What is the molecular weight of BAS 13029981?
The molecular weight of BAS 13029981 is 394.18 g/mol.
Where can I buy BAS 13029981?
You can request a quote for BAS 13029981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13029981?
Yes, KEHONG BIO provides custom synthesis services for BAS 13029981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.