BAS 05100509
TL;DR: BAS 05100509 (CAS 577756-84-4) is a chemical compound with molecular formula C21H18ClN5OS and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
Also Known As: BAS 05100509, AB00686947-01, F1874-0675, 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide, 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-phenethylacetamide
| Molecular Formula | C21H18ClN5OS |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 3.9199 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.09207 |
| Heavy Atoms | 29 |
| Complexity | 1115.0966 |
Chemical Identifiers
| CAS Number | 577756-84-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
BAS 05100509 (CAS 577756-84-4), with molecular formula C21H18ClN5OS and molecular weight 423.09 g/mol. IUPAC: 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide.
Chemical Property Profile of BAS 05100509
Property Insights of BAS 05100509
The XLogP value of 3.9199 indicates that BAS 05100509 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05100509. Following Lipinski's Rule of Five, BAS 05100509 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 05100509?
The CAS number of BAS 05100509 is 577756-84-4.
What is the molecular formula of BAS 05100509?
The molecular formula of BAS 05100509 is C21H18ClN5OS.
What is the molecular weight of BAS 05100509?
The molecular weight of BAS 05100509 is 423.09 g/mol.
Where can I buy BAS 05100509?
You can request a quote for BAS 05100509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05100509?
Yes, KEHONG BIO provides custom synthesis services for BAS 05100509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.