BAS 13030545
TL;DR: BAS 13030545 (CAS 878735-09-2) is a chemical compound with molecular formula C21H33N5O3 and molecular weight 403.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3,3-dimethyl-2-oxobutyl)-8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 13030545, VU0509648-1, F3124-0967, 7-(3,3-dimethyl-2-oxobutyl)-8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione, 7-(3,3-dimethyl-2-oxobutyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H33N5O3 |
|---|---|
| Molecular Weight | 403.26 g/mol |
| LogP | 1.5268 |
| Topological Polar Surface Area | 82.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.25833 |
| Heavy Atoms | 29 |
| Complexity | 1043.4119 |
Chemical Identifiers
| CAS Number | 878735-09-2 |
|---|---|
| SMILES | CC1CC(CN(C1)CC2=NC3=C(N2CC(=O)C(C)(C)C)C(=O)N(C(=O)N3C)C)C |
Product Overview
BAS 13030545 (CAS 878735-09-2), with molecular formula C21H33N5O3 and molecular weight 403.26 g/mol. IUPAC: 7-(3,3-dimethyl-2-oxobutyl)-8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 13030545
Property Insights of BAS 13030545
The XLogP value of 1.5268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030545. The TPSA of 82.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030545. Following Lipinski's Rule of Five, BAS 13030545 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 13030545?
The CAS number of BAS 13030545 is 878735-09-2.
What is the molecular formula of BAS 13030545?
The molecular formula of BAS 13030545 is C21H33N5O3.
What is the molecular weight of BAS 13030545?
The molecular weight of BAS 13030545 is 403.26 g/mol.
Where can I buy BAS 13030545?
You can request a quote for BAS 13030545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030545?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.