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methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate
TL;DR: methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate (CAS 338419-82-2) is a chemical compound with molecular formula C13H11N3O2S and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate
Also Known As: methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate, methyl 2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}acetate, 4F-957, methyl2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}acetate
| Molecular Formula | C13H11N3O2S |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.3762 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.0572 |
| Heavy Atoms | 19 |
| Complexity | 753.8177 |
Chemical Identifiers
| CAS Number | 338419-82-2 |
|---|---|
| SMILES | COC(=O)CSC1=NC=NC2=C1NC3=CC=CC=C32 |
Product Overview
methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate (CAS 338419-82-2), with molecular formula C13H11N3O2S and molecular weight 273.06 g/mol. IUPAC: methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate.
Chemical Property Profile of methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate
Property Insights of methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate
The XLogP value of 2.3762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate. Following Lipinski's Rule of Five, methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate has 1 hydrogen bond donor(s) and 5 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-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate?
The CAS number of methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate is 338419-82-2.
What is the molecular formula of methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate?
The molecular formula of methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate is C13H11N3O2S.
What is the molecular weight of methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate?
The molecular weight of methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate is 273.06 g/mol.
Where can I buy methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate?
You can request a quote for methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)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-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.