![Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate structure](/static/products/866/866811-22-5.png)
Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate
TL;DR: Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate (CAS 866811-22-5) is a chemical compound with molecular formula C21H18N2O4S and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Also Known As: ChemDiv2_007311, IDI1_006026, METHYL 2-({9-METHOXY-2-PHENYL-5H-CHROMENO[2,3-D]PYRIMIDIN-4-YL}SULFANYL)ACETATE, F1605-0195, methyl 2-[(9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
| Molecular Formula | C21H18N2O4S |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 4.1138 |
| Topological Polar Surface Area | 70.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.09872 |
| Heavy Atoms | 28 |
| Complexity | 1024.4142 |
Chemical Identifiers
| CAS Number | 866811-22-5 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)OC |
Product Overview
Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate (CAS 866811-22-5), with molecular formula C21H18N2O4S and molecular weight 394.10 g/mol. IUPAC: methyl 2-[(9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate
Property Insights of Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate
The XLogP value of 4.1138 indicates that Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate. Following Lipinski's Rule of Five, Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate 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 Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate?
The CAS number of Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate is 866811-22-5.
What is the molecular formula of Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate?
The molecular formula of Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate is C21H18N2O4S.
What is the molecular weight of Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate?
The molecular weight of Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate is 394.10 g/mol.
Where can I buy Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate?
You can request a quote for Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.