BAS 05100551
TL;DR: BAS 05100551 (CAS 577756-96-8) is a chemical compound with molecular formula C21H19ClN6OS and molecular weight 438.10 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-[4-(dimethylamino)phenyl]acetamide
Also Known As: BAS 05100551, 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide, 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-dimethylaminophenyl)acetamide, 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
| Molecular Formula | C21H19ClN6OS |
|---|---|
| Molecular Weight | 438.10 g/mol |
| LogP | 4.2657 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.10297 |
| Heavy Atoms | 30 |
| Complexity | 1174.5586 |
Chemical Identifiers
| CAS Number | 577756-96-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
BAS 05100551 (CAS 577756-96-8), with molecular formula C21H19ClN6OS and molecular weight 438.10 g/mol. IUPAC: 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-[4-(dimethylamino)phenyl]acetamide.
Chemical Property Profile of BAS 05100551
Property Insights of BAS 05100551
The XLogP value of 4.2657 indicates that BAS 05100551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05100551. Following Lipinski's Rule of Five, BAS 05100551 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 05100551?
The CAS number of BAS 05100551 is 577756-96-8.
What is the molecular formula of BAS 05100551?
The molecular formula of BAS 05100551 is C21H19ClN6OS.
What is the molecular weight of BAS 05100551?
The molecular weight of BAS 05100551 is 438.10 g/mol.
Where can I buy BAS 05100551?
You can request a quote for BAS 05100551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05100551?
Yes, KEHONG BIO provides custom synthesis services for BAS 05100551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.