AB00686929-01
TL;DR: AB00686929-01 (CAS 872856-68-3) is a chemical compound with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
Also Known As: AB00686929-01, F1874-0069, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
| Molecular Formula | C21H17N5O3S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 2.9527 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.10522 |
| Heavy Atoms | 30 |
| Complexity | 1211.9789 |
Chemical Identifiers
| CAS Number | 872856-68-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5 |
Product Overview
AB00686929-01 (CAS 872856-68-3), with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
Chemical Property Profile of AB00686929-01
Property Insights of AB00686929-01
The XLogP value of 2.9527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686929-01. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686929-01. Following Lipinski's Rule of Five, AB00686929-01 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 AB00686929-01?
The CAS number of AB00686929-01 is 872856-68-3.
What is the molecular formula of AB00686929-01?
The molecular formula of AB00686929-01 is C21H17N5O3S.
What is the molecular weight of AB00686929-01?
The molecular weight of AB00686929-01 is 419.11 g/mol.
Where can I buy AB00686929-01?
You can request a quote for AB00686929-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686929-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686929-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.