BAS 05100480
TL;DR: BAS 05100480 (CAS 577756-68-4) is a chemical compound with molecular formula C19H12Cl2FN5OS and molecular weight 447.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
Also Known As: BAS 05100480, N-(3-chloro-4-fluorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide, N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide, N-(3-chloro-4-fluorophenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C19H12Cl2FN5OS |
|---|---|
| Molecular Weight | 447.01 g/mol |
| LogP | 4.9922 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.01236 |
| Heavy Atoms | 29 |
| Complexity | 1199.1566 |
Chemical Identifiers
| CAS Number | 577756-68-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC(=C(C=C4)F)Cl)Cl |
Product Overview
BAS 05100480 (CAS 577756-68-4), with molecular formula C19H12Cl2FN5OS and molecular weight 447.01 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.
Chemical Property Profile of BAS 05100480
Property Insights of BAS 05100480
The XLogP value of 4.9922 indicates that BAS 05100480 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 05100480. Following Lipinski's Rule of Five, BAS 05100480 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 05100480?
The CAS number of BAS 05100480 is 577756-68-4.
What is the molecular formula of BAS 05100480?
The molecular formula of BAS 05100480 is C19H12Cl2FN5OS.
What is the molecular weight of BAS 05100480?
The molecular weight of BAS 05100480 is 447.01 g/mol.
Where can I buy BAS 05100480?
You can request a quote for BAS 05100480 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05100480?
Yes, KEHONG BIO provides custom synthesis services for BAS 05100480 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.