BAS 13029939
TL;DR: BAS 13029939 (CAS 878731-75-0) is a chemical compound with molecular formula C18H25N5O3 and molecular weight 359.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethyl-2-oxobutyl)-4,7-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13029939, VU0509596-1, F3124-0368, 2-(3,3-dimethyl-2-oxobutyl)-4,7-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione, 3-(3,3-dimethyl-2-oxobutyl)-1,7-dimethyl-8-(methylethyl)-1,3,5-trihydro-4-imid azolino[1,2-h]purine-2,4-dione
| Molecular Formula | C18H25N5O3 |
|---|---|
| Molecular Weight | 359.20 g/mol |
| LogP | 1.65392 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.19574 |
| Heavy Atoms | 26 |
| Complexity | 1148.3412 |
Chemical Identifiers
| CAS Number | 878731-75-0 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C(C)C)N(C(=O)N(C3=O)CC(=O)C(C)(C)C)C |
Product Overview
BAS 13029939 (CAS 878731-75-0), with molecular formula C18H25N5O3 and molecular weight 359.20 g/mol. IUPAC: 2-(3,3-dimethyl-2-oxobutyl)-4,7-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13029939
Property Insights of BAS 13029939
The XLogP value of 1.65392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13029939. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13029939. Following Lipinski's Rule of Five, BAS 13029939 has 0 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 13029939?
The CAS number of BAS 13029939 is 878731-75-0.
What is the molecular formula of BAS 13029939?
The molecular formula of BAS 13029939 is C18H25N5O3.
What is the molecular weight of BAS 13029939?
The molecular weight of BAS 13029939 is 359.20 g/mol.
Where can I buy BAS 13029939?
You can request a quote for BAS 13029939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13029939?
Yes, KEHONG BIO provides custom synthesis services for BAS 13029939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.