BAS 05100531
TL;DR: BAS 05100531 (CAS 577756-88-8) is a chemical compound with molecular formula C25H18ClN5OS and molecular weight 471.09 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-phenylphenyl)acetamide
Also Known As: BAS 05100531, 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylphenyl)acetamide, N-([1,1'-biphenyl]-2-yl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide, N-(biphenyl-2-yl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C25H18ClN5OS |
|---|---|
| Molecular Weight | 471.09 g/mol |
| LogP | 5.8667 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.09207 |
| Heavy Atoms | 33 |
| Complexity | 1420.2423 |
Chemical Identifiers
| CAS Number | 577756-88-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)Cl |
Product Overview
BAS 05100531 (CAS 577756-88-8), with molecular formula C25H18ClN5OS and molecular weight 471.09 g/mol. IUPAC: 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylphenyl)acetamide.
Chemical Property Profile of BAS 05100531
Property Insights of BAS 05100531
The XLogP value of 5.8667 indicates that BAS 05100531 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 05100531. Following Lipinski's Rule of Five, BAS 05100531 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 05100531?
The CAS number of BAS 05100531 is 577756-88-8.
What is the molecular formula of BAS 05100531?
The molecular formula of BAS 05100531 is C25H18ClN5OS.
What is the molecular weight of BAS 05100531?
The molecular weight of BAS 05100531 is 471.09 g/mol.
Where can I buy BAS 05100531?
You can request a quote for BAS 05100531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05100531?
Yes, KEHONG BIO provides custom synthesis services for BAS 05100531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.