Bionet1_004550
TL;DR: Bionet1_004550 (CAS 477863-31-3) is a chemical compound with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[2-oxo-2-(prop-2-enylamino)acetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate
Also Known As: Bionet1_004550, 12P-346S, methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate, methyl 3-[2-[2-oxo-2-(prop-2-enylamino)acetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate, methyl 3-(2-{[(prop-2-en-1-yl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
| Molecular Formula | C19H16N2O4S |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 2.9635 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.08307 |
| Heavy Atoms | 26 |
| Complexity | 1015.64777 |
Chemical Identifiers
| CAS Number | 477863-31-3 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NCC=C |
Product Overview
Bionet1_004550 (CAS 477863-31-3), with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol. IUPAC: methyl 3-[2-[2-oxo-2-(prop-2-enylamino)acetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Bionet1_004550
Property Insights of Bionet1_004550
The XLogP value of 2.9635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004550. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004550. Following Lipinski's Rule of Five, Bionet1_004550 has 1 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 Bionet1_004550?
The CAS number of Bionet1_004550 is 477863-31-3.
What is the molecular formula of Bionet1_004550?
The molecular formula of Bionet1_004550 is C19H16N2O4S.
What is the molecular weight of Bionet1_004550?
The molecular weight of Bionet1_004550 is 368.08 g/mol.
Where can I buy Bionet1_004550?
You can request a quote for Bionet1_004550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004550?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.