BAS 05100539
TL;DR: BAS 05100539 (CAS 577756-94-6) is a chemical compound with molecular formula C23H22ClN5O3S and molecular weight 483.11 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-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: BAS 05100539, F1874-0676, 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3,4-dimethoxyphenethyl)acetamide, 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
| Molecular Formula | C23H22ClN5O3S |
|---|---|
| Molecular Weight | 483.11 g/mol |
| LogP | 3.9371 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.1132 |
| Heavy Atoms | 33 |
| Complexity | 1262.9343 |
Chemical Identifiers
| CAS Number | 577756-94-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl)OC |
Product Overview
BAS 05100539 (CAS 577756-94-6), with molecular formula C23H22ClN5O3S and molecular weight 483.11 g/mol. IUPAC: 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of BAS 05100539
Property Insights of BAS 05100539
The XLogP value of 3.9371 indicates that BAS 05100539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05100539. Following Lipinski's Rule of Five, BAS 05100539 has 1 hydrogen bond donor(s) and 7 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 05100539?
The CAS number of BAS 05100539 is 577756-94-6.
What is the molecular formula of BAS 05100539?
The molecular formula of BAS 05100539 is C23H22ClN5O3S.
What is the molecular weight of BAS 05100539?
The molecular weight of BAS 05100539 is 483.11 g/mol.
Where can I buy BAS 05100539?
You can request a quote for BAS 05100539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05100539?
Yes, KEHONG BIO provides custom synthesis services for BAS 05100539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.