AB00686950-01
TL;DR: AB00686950-01 (CAS 872860-30-5) is a chemical compound with molecular formula C17H13ClN6O2S and molecular weight 400.05 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-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: AB00686950-01, F1874-0684, 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide, 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C17H13ClN6O2S |
|---|---|
| Molecular Weight | 400.05 g/mol |
| LogP | 3.49612 |
| Topological Polar Surface Area | 98.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.05093 |
| Heavy Atoms | 27 |
| Complexity | 1108.2747 |
Chemical Identifiers
| CAS Number | 872860-30-5 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
AB00686950-01 (CAS 872860-30-5), with molecular formula C17H13ClN6O2S and molecular weight 400.05 g/mol. IUPAC: 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of AB00686950-01
Property Insights of AB00686950-01
The XLogP value of 3.49612 indicates that AB00686950-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686950-01. Following Lipinski's Rule of Five, AB00686950-01 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 AB00686950-01?
The CAS number of AB00686950-01 is 872860-30-5.
What is the molecular formula of AB00686950-01?
The molecular formula of AB00686950-01 is C17H13ClN6O2S.
What is the molecular weight of AB00686950-01?
The molecular weight of AB00686950-01 is 400.05 g/mol.
Where can I buy AB00686950-01?
You can request a quote for AB00686950-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686950-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686950-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.