AB00687511-01
TL;DR: AB00687511-01 (CAS 877635-27-3) is a chemical compound with molecular formula C20H18N2O4S and molecular weight 382.10 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-methylbenzoate
Also Known As: AB00687511-01, [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-methylbenzoate, F2510-0006, 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-methylbenzoate
| Molecular Formula | C20H18N2O4S |
|---|---|
| Molecular Weight | 382.10 g/mol |
| LogP | 3.86656 |
| Topological Polar Surface Area | 82.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.09872 |
| Heavy Atoms | 27 |
| Complexity | 1025.8969 |
Chemical Identifiers
| CAS Number | 877635-27-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=COC(=CC2=O)CSC3=NC(=CC(=N3)C)C |
Product Overview
AB00687511-01 (CAS 877635-27-3), with molecular formula C20H18N2O4S and molecular weight 382.10 g/mol. IUPAC: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-methylbenzoate.
Chemical Property Profile of AB00687511-01
Property Insights of AB00687511-01
The XLogP value of 3.86656 indicates that AB00687511-01 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 AB00687511-01. Following Lipinski's Rule of Five, AB00687511-01 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 AB00687511-01?
The CAS number of AB00687511-01 is 877635-27-3.
What is the molecular formula of AB00687511-01?
The molecular formula of AB00687511-01 is C20H18N2O4S.
What is the molecular weight of AB00687511-01?
The molecular weight of AB00687511-01 is 382.10 g/mol.
Where can I buy AB00687511-01?
You can request a quote for AB00687511-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687511-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687511-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.