starbld0006002
TL;DR: starbld0006002 (CAS 744241-68-7) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0006002, [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate, 2-Oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl 2-(methylthio)nicotinate, 2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.79854 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 722.17615 |
Chemical Identifiers
| CAS Number | 744241-68-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
starbld0006002 (CAS 744241-68-7), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of starbld0006002
Property Insights of starbld0006002
The XLogP value of 2.79854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0006002. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0006002. Following Lipinski's Rule of Five, starbld0006002 has 0 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 starbld0006002?
The CAS number of starbld0006002 is 744241-68-7.
What is the molecular formula of starbld0006002?
The molecular formula of starbld0006002 is C16H18N2O3S.
What is the molecular weight of starbld0006002?
The molecular weight of starbld0006002 is 318.10 g/mol.
Where can I buy starbld0006002?
You can request a quote for starbld0006002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0006002?
Yes, KEHONG BIO provides custom synthesis services for starbld0006002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.