starbld0006956
TL;DR: starbld0006956 (CAS 852465-39-5) is a chemical compound with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0006956, 2-(4-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl 2-(methylthio)nicotinate, [2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, 2-[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C18H20N2O5S |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 2.96484 |
| Topological Polar Surface Area | 98.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.10928 |
| Heavy Atoms | 26 |
| Complexity | 844.1022 |
Chemical Identifiers
| CAS Number | 852465-39-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=C(N=CC=C2)SC)C)C |
Product Overview
starbld0006956 (CAS 852465-39-5), with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol. IUPAC: [2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of starbld0006956
Property Insights of starbld0006956
The XLogP value of 2.96484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0006956. The TPSA of 98.35 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0006956. Following Lipinski's Rule of Five, starbld0006956 has 1 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 starbld0006956?
The CAS number of starbld0006956 is 852465-39-5.
What is the molecular formula of starbld0006956?
The molecular formula of starbld0006956 is C18H20N2O5S.
What is the molecular weight of starbld0006956?
The molecular weight of starbld0006956 is 376.11 g/mol.
Where can I buy starbld0006956?
You can request a quote for starbld0006956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0006956?
Yes, KEHONG BIO provides custom synthesis services for starbld0006956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.