AB00687523-01
TL;DR: AB00687523-01 (CAS 877635-94-4) is a chemical compound with molecular formula C20H16N2O6S and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate
Also Known As: AB00687523-01, F2510-0057, [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate, 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzo[d][1,3]dioxole-5-carboxylate, 6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 2H-1,3-benzodioxole-5-carboxylate
| Molecular Formula | C20H16N2O6S |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 3.28684 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0729 |
| Heavy Atoms | 29 |
| Complexity | 1123.8057 |
Chemical Identifiers
| CAS Number | 877635-94-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC4=C(C=C3)OCO4)C |
Product Overview
AB00687523-01 (CAS 877635-94-4), with molecular formula C20H16N2O6S and molecular weight 412.07 g/mol. IUPAC: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of AB00687523-01
Property Insights of AB00687523-01
The XLogP value of 3.28684 indicates that AB00687523-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687523-01. Following Lipinski's Rule of Five, AB00687523-01 has 0 hydrogen bond donor(s) and 9 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 AB00687523-01?
The CAS number of AB00687523-01 is 877635-94-4.
What is the molecular formula of AB00687523-01?
The molecular formula of AB00687523-01 is C20H16N2O6S.
What is the molecular weight of AB00687523-01?
The molecular weight of AB00687523-01 is 412.07 g/mol.
Where can I buy AB00687523-01?
You can request a quote for AB00687523-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687523-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687523-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.