BAS 13030544
TL;DR: BAS 13030544 (CAS 878735-07-0) is a chemical compound with molecular formula C19H29N5O3 and molecular weight 375.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione
Also Known As: BAS 13030544, UPCMLD0ENAT5801392:001, F3124-0966, 7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione, 7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H29N5O3 |
|---|---|
| Molecular Weight | 375.23 g/mol |
| LogP | 1.0348 |
| Topological Polar Surface Area | 82.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.22705 |
| Heavy Atoms | 27 |
| Complexity | 983.8997 |
Chemical Identifiers
| CAS Number | 878735-07-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3 |
Product Overview
BAS 13030544 (CAS 878735-07-0), with molecular formula C19H29N5O3 and molecular weight 375.23 g/mol. IUPAC: 7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of BAS 13030544
Property Insights of BAS 13030544
The XLogP value of 1.0348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030544. The TPSA of 82.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030544. Following Lipinski's Rule of Five, BAS 13030544 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 13030544?
The CAS number of BAS 13030544 is 878735-07-0.
What is the molecular formula of BAS 13030544?
The molecular formula of BAS 13030544 is C19H29N5O3.
What is the molecular weight of BAS 13030544?
The molecular weight of BAS 13030544 is 375.23 g/mol.
Where can I buy BAS 13030544?
You can request a quote for BAS 13030544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030544?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.