AB00687522-01
TL;DR: AB00687522-01 (CAS 877635-92-2) is a chemical compound with molecular formula C19H14N2O6S and molecular weight 398.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate
Also Known As: AB00687522-01, F2510-0056, [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate, 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzo[d][1,3]dioxole-5-carboxylate, 6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 2H-1,3-benzodioxole-5-carboxylate
| Molecular Formula | C19H14N2O6S |
|---|---|
| Molecular Weight | 398.06 g/mol |
| LogP | 2.97842 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.05725 |
| Heavy Atoms | 28 |
| Complexity | 1097.7771 |
Chemical Identifiers
| CAS Number | 877635-92-2 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
AB00687522-01 (CAS 877635-92-2), with molecular formula C19H14N2O6S and molecular weight 398.06 g/mol. IUPAC: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of AB00687522-01
Property Insights of AB00687522-01
The XLogP value of 2.97842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00687522-01. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687522-01. Following Lipinski's Rule of Five, AB00687522-01 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 AB00687522-01?
The CAS number of AB00687522-01 is 877635-92-2.
What is the molecular formula of AB00687522-01?
The molecular formula of AB00687522-01 is C19H14N2O6S.
What is the molecular weight of AB00687522-01?
The molecular weight of AB00687522-01 is 398.06 g/mol.
Where can I buy AB00687522-01?
You can request a quote for AB00687522-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687522-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687522-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.