AB00687554-01
TL;DR: AB00687554-01 (CAS 877636-91-4) is a chemical compound with molecular formula C20H14N2O6S and molecular weight 410.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Also Known As: AB00687554-01, F2510-0172, 4-oxo-6-[(pyrimidin-2-ylsulfanyl)methyl]-4H-pyran-3-yl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate, (E)-4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 3-(benzo[d][1,3]dioxol-5-yl)acrylate, [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
| Molecular Formula | C20H14N2O6S |
|---|---|
| Molecular Weight | 410.06 g/mol |
| LogP | 3.0696 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.05725 |
| Heavy Atoms | 29 |
| Complexity | 1113.4543 |
Chemical Identifiers
| CAS Number | 877636-91-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OC3=COC(=CC3=O)CSC4=NC=CC=N4 |
Product Overview
AB00687554-01 (CAS 877636-91-4), with molecular formula C20H14N2O6S and molecular weight 410.06 g/mol. IUPAC: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate.
Chemical Property Profile of AB00687554-01
Property Insights of AB00687554-01
The XLogP value of 3.0696 indicates that AB00687554-01 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 AB00687554-01. Following Lipinski's Rule of Five, AB00687554-01 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 AB00687554-01?
The CAS number of AB00687554-01 is 877636-91-4.
What is the molecular formula of AB00687554-01?
The molecular formula of AB00687554-01 is C20H14N2O6S.
What is the molecular weight of AB00687554-01?
The molecular weight of AB00687554-01 is 410.06 g/mol.
Where can I buy AB00687554-01?
You can request a quote for AB00687554-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687554-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687554-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.