starbld0005399
TL;DR: starbld0005399 (CAS 852545-48-3) is a chemical compound with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0005399, [2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, 2-(1-(2-Methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl 2-(methylthio)nicotinate, 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C18H22N2O4S |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 2.90794 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.13004 |
| Heavy Atoms | 25 |
| Complexity | 770.4317 |
Chemical Identifiers
| CAS Number | 852545-48-3 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
starbld0005399 (CAS 852545-48-3), with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol. IUPAC: [2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of starbld0005399
Property Insights of starbld0005399
The XLogP value of 2.90794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0005399. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0005399. Following Lipinski's Rule of Five, starbld0005399 has 0 hydrogen bond donor(s) and 6 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 starbld0005399?
The CAS number of starbld0005399 is 852545-48-3.
What is the molecular formula of starbld0005399?
The molecular formula of starbld0005399 is C18H22N2O4S.
What is the molecular weight of starbld0005399?
The molecular weight of starbld0005399 is 362.13 g/mol.
Where can I buy starbld0005399?
You can request a quote for starbld0005399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0005399?
Yes, KEHONG BIO provides custom synthesis services for starbld0005399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.