BAS 05099876
TL;DR: BAS 05099876 (CAS 577755-52-3) is a chemical compound with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxyphenyl)-2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
Also Known As: BAS 05099876, N-(3-methoxyphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide, N-(3-methoxyphenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide, N-(3-methoxyphenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C21H19N5O2S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.86332 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.12595 |
| Heavy Atoms | 29 |
| Complexity | 1157.4252 |
Chemical Identifiers
| CAS Number | 577755-52-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC(=CC=C4)OC |
Product Overview
BAS 05099876 (CAS 577755-52-3), with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol. IUPAC: N-(3-methoxyphenyl)-2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.
Chemical Property Profile of BAS 05099876
Property Insights of BAS 05099876
The XLogP value of 3.86332 indicates that BAS 05099876 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05099876. Following Lipinski's Rule of Five, BAS 05099876 has 1 hydrogen bond donor(s) and 6 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 05099876?
The CAS number of BAS 05099876 is 577755-52-3.
What is the molecular formula of BAS 05099876?
The molecular formula of BAS 05099876 is C21H19N5O2S.
What is the molecular weight of BAS 05099876?
The molecular weight of BAS 05099876 is 405.13 g/mol.
Where can I buy BAS 05099876?
You can request a quote for BAS 05099876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05099876?
Yes, KEHONG BIO provides custom synthesis services for BAS 05099876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.