BAS 00396601
TL;DR: BAS 00396601 (CAS 300586-48-5) is a chemical compound with molecular formula C19H30N6O3 and molecular weight 390.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-(azepan-1-yl)-3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]acetamide
Also Known As: BAS 00396601, 2-(8-(azepan-1-yl)-7-isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide, F0372-0044, 2-[8-(azepan-1-yl)-3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]acetamide, 2-[8-(azepan-1-yl)-3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetamide
| Molecular Formula | C19H30N6O3 |
|---|---|
| Molecular Weight | 390.24 g/mol |
| LogP | 0.8085 |
| Topological Polar Surface Area | 108.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.23795 |
| Heavy Atoms | 28 |
| Complexity | 976.18616 |
Chemical Identifiers
| CAS Number | 300586-48-5 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)CC(=O)N)C |
Product Overview
BAS 00396601 (CAS 300586-48-5), with molecular formula C19H30N6O3 and molecular weight 390.24 g/mol. IUPAC: 2-[8-(azepan-1-yl)-3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]acetamide.
Chemical Property Profile of BAS 00396601
Property Insights of BAS 00396601
The XLogP value of 0.8085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00396601. The TPSA of 108.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00396601. Following Lipinski's Rule of Five, BAS 00396601 has 1 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 00396601?
The CAS number of BAS 00396601 is 300586-48-5.
What is the molecular formula of BAS 00396601?
The molecular formula of BAS 00396601 is C19H30N6O3.
What is the molecular weight of BAS 00396601?
The molecular weight of BAS 00396601 is 390.24 g/mol.
Where can I buy BAS 00396601?
You can request a quote for BAS 00396601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00396601?
Yes, KEHONG BIO provides custom synthesis services for BAS 00396601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.