AB00687561-01
TL;DR: AB00687561-01 (CAS 877637-19-9) is a chemical compound with molecular formula C21H20N2O5S and molecular weight 412.11 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] 2-(2-methylphenoxy)acetate
Also Known As: AB00687561-01, F2510-0210, [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-(2-methylphenoxy)acetate, 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-(o-tolyloxy)acetate, 6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 2-(2-methylphenoxy)acetate
| Molecular Formula | C21H20N2O5S |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 3.63176 |
| Topological Polar Surface Area | 91.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.10928 |
| Heavy Atoms | 29 |
| Complexity | 1060.4117 |
Chemical Identifiers
| CAS Number | 877637-19-9 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(=O)OC2=COC(=CC2=O)CSC3=NC(=CC(=N3)C)C |
Product Overview
AB00687561-01 (CAS 877637-19-9), with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol. IUPAC: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-(2-methylphenoxy)acetate.
Chemical Property Profile of AB00687561-01
Property Insights of AB00687561-01
The XLogP value of 3.63176 indicates that AB00687561-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687561-01. Following Lipinski's Rule of Five, AB00687561-01 has 0 hydrogen bond donor(s) and 8 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 AB00687561-01?
The CAS number of AB00687561-01 is 877637-19-9.
What is the molecular formula of AB00687561-01?
The molecular formula of AB00687561-01 is C21H20N2O5S.
What is the molecular weight of AB00687561-01?
The molecular weight of AB00687561-01 is 412.11 g/mol.
Where can I buy AB00687561-01?
You can request a quote for AB00687561-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687561-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687561-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.