starbld0001117
TL;DR: starbld0001117 (CAS 853584-14-2) is a chemical compound with molecular formula C19H22N2O6S and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]-1H-pyrrole-2,4-dicarboxylate
Also Known As: starbld0001117, Diethyl 3-methyl-5-(((2-(methylthio)nicotinoyl)oxy)methyl)-1H-pyrrole-2,4-dicarboxylate, 2,4-diethyl 3-methyl-5-{[2-(methylsulfanyl)pyridine-3-carbonyloxy]methyl}-1H-pyrrole-2,4-dicarboxylate, diethyl 3-methyl-5-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]-1H-pyrrole-2,4-dicarboxylate
| Molecular Formula | C19H22N2O6S |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 3.15042 |
| Topological Polar Surface Area | 107.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.11984 |
| Heavy Atoms | 28 |
| Complexity | 877.30396 |
Chemical Identifiers
| CAS Number | 853584-14-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
starbld0001117 (CAS 853584-14-2), with molecular formula C19H22N2O6S and molecular weight 406.12 g/mol. IUPAC: diethyl 3-methyl-5-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of starbld0001117
Property Insights of starbld0001117
The XLogP value of 3.15042 indicates that starbld0001117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.58 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0001117. Following Lipinski's Rule of Five, starbld0001117 has 1 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 starbld0001117?
The CAS number of starbld0001117 is 853584-14-2.
What is the molecular formula of starbld0001117?
The molecular formula of starbld0001117 is C19H22N2O6S.
What is the molecular weight of starbld0001117?
The molecular weight of starbld0001117 is 406.12 g/mol.
Where can I buy starbld0001117?
You can request a quote for starbld0001117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0001117?
Yes, KEHONG BIO provides custom synthesis services for starbld0001117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.