starbld0006691
TL;DR: starbld0006691 (CAS 436825-56-8) is a chemical compound with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0006691, [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, 2-(Benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl 2-(methylthio)nicotinate, [(1,3-dioxaindan-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate, 2-[(2H-1,3-Benzodioxol-5-yl)amino]-2-oxoethyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C16H14N2O5S |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 2.3277 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.06235 |
| Heavy Atoms | 24 |
| Complexity | 780.8131 |
Chemical Identifiers
| CAS Number | 436825-56-8 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
starbld0006691 (CAS 436825-56-8), with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of starbld0006691
Property Insights of starbld0006691
The XLogP value of 2.3277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0006691. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0006691. Following Lipinski's Rule of Five, starbld0006691 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 starbld0006691?
The CAS number of starbld0006691 is 436825-56-8.
What is the molecular formula of starbld0006691?
The molecular formula of starbld0006691 is C16H14N2O5S.
What is the molecular weight of starbld0006691?
The molecular weight of starbld0006691 is 346.06 g/mol.
Where can I buy starbld0006691?
You can request a quote for starbld0006691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0006691?
Yes, KEHONG BIO provides custom synthesis services for starbld0006691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.