starbld0003444
TL;DR: starbld0003444 (CAS 848622-13-9) is a chemical compound with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0003444, 2-(1-(Benzo[d][1,3]dioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl 2-(methylthio)nicotinate, [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, 2-[1-(1,3-dioxaindan-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C22H20N2O5S |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 3.97944 |
| Topological Polar Surface Area | 79.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.10928 |
| Heavy Atoms | 30 |
| Complexity | 1138.5518 |
Chemical Identifiers
| CAS Number | 848622-13-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC(=O)C4=C(N=CC=C4)SC |
Product Overview
starbld0003444 (CAS 848622-13-9), with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol. IUPAC: [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of starbld0003444
Property Insights of starbld0003444
The XLogP value of 3.97944 indicates that starbld0003444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.65 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0003444. Following Lipinski's Rule of Five, starbld0003444 has 0 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 starbld0003444?
The CAS number of starbld0003444 is 848622-13-9.
What is the molecular formula of starbld0003444?
The molecular formula of starbld0003444 is C22H20N2O5S.
What is the molecular weight of starbld0003444?
The molecular weight of starbld0003444 is 424.11 g/mol.
Where can I buy starbld0003444?
You can request a quote for starbld0003444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0003444?
Yes, KEHONG BIO provides custom synthesis services for starbld0003444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.