AB00687517-01
TL;DR: AB00687517-01 (CAS 877635-36-4) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 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] 3,5-dimethylbenzoate
Also Known As: AB00687517-01, F2510-0015, [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3,5-dimethylbenzoate, 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,5-dimethylbenzoate, 6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 3,5-dimethylbenzoate
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 4.17498 |
| Topological Polar Surface Area | 82.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 1051.5039 |
Chemical Identifiers
| CAS Number | 877635-36-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CC(=N3)C)C)C |
Product Overview
AB00687517-01 (CAS 877635-36-4), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3,5-dimethylbenzoate.
Chemical Property Profile of AB00687517-01
Property Insights of AB00687517-01
The XLogP value of 4.17498 indicates that AB00687517-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687517-01. Following Lipinski's Rule of Five, AB00687517-01 has 0 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 AB00687517-01?
The CAS number of AB00687517-01 is 877635-36-4.
What is the molecular formula of AB00687517-01?
The molecular formula of AB00687517-01 is C21H20N2O4S.
What is the molecular weight of AB00687517-01?
The molecular weight of AB00687517-01 is 396.11 g/mol.
Where can I buy AB00687517-01?
You can request a quote for AB00687517-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687517-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687517-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.