BAS 05099892
TL;DR: BAS 05099892 (CAS 575470-08-5) is a chemical compound with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
Also Known As: BAS 05099892, N-(1,3-benzodioxol-5-yl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide, N-(1,3-benzodioxol-5-yl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
| Molecular Formula | C21H17N5O3S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 3.58342 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.10522 |
| Heavy Atoms | 30 |
| Complexity | 1239.3645 |
Chemical Identifiers
| CAS Number | 575470-08-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 05099892 (CAS 575470-08-5), with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.
Chemical Property Profile of BAS 05099892
Property Insights of BAS 05099892
The XLogP value of 3.58342 indicates that BAS 05099892 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05099892. Following Lipinski's Rule of Five, BAS 05099892 has 1 hydrogen bond donor(s) and 7 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 05099892?
The CAS number of BAS 05099892 is 575470-08-5.
What is the molecular formula of BAS 05099892?
The molecular formula of BAS 05099892 is C21H17N5O3S.
What is the molecular weight of BAS 05099892?
The molecular weight of BAS 05099892 is 419.11 g/mol.
Where can I buy BAS 05099892?
You can request a quote for BAS 05099892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05099892?
Yes, KEHONG BIO provides custom synthesis services for BAS 05099892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.