BAS 00288332
TL;DR: BAS 00288332 (CAS 313530-87-9) is a chemical compound with molecular formula C19H23N5O3S and molecular weight 401.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide
Also Known As: BAS 00288332, AB00124372-02, AB00124372-03, 2-((7-isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide, 2-{[3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
| Molecular Formula | C19H23N5O3S |
|---|---|
| Molecular Weight | 401.15 g/mol |
| LogP | 2.2002 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.15216 |
| Heavy Atoms | 28 |
| Complexity | 1098.44 |
Chemical Identifiers
| CAS Number | 313530-87-9 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
BAS 00288332 (CAS 313530-87-9), with molecular formula C19H23N5O3S and molecular weight 401.15 g/mol. IUPAC: 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide.
Chemical Property Profile of BAS 00288332
Property Insights of BAS 00288332
The XLogP value of 2.2002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00288332. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00288332. Following Lipinski's Rule of Five, BAS 00288332 has 2 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 00288332?
The CAS number of BAS 00288332 is 313530-87-9.
What is the molecular formula of BAS 00288332?
The molecular formula of BAS 00288332 is C19H23N5O3S.
What is the molecular weight of BAS 00288332?
The molecular weight of BAS 00288332 is 401.15 g/mol.
Where can I buy BAS 00288332?
You can request a quote for BAS 00288332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288332?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.