IBS_STOCK5S-90083
TL;DR: IBS_STOCK5S-90083 (CAS 879569-56-9) is a chemical compound with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dimethylamino)ethyl]-6-methoxy-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: IBS_STOCK5S-90083, 3-(chloromethyl)-1-methylhydroquinolin-2-one, J2.843.485E, VU0605956-1, 2-(2-(dimethylamino)ethyl)-6-methoxy-1-(thiophen-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C20H20N2O4S |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 2.9699 |
| Topological Polar Surface Area | 62.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.11438 |
| Heavy Atoms | 27 |
| Complexity | 1055.7742 |
Chemical Identifiers
| CAS Number | 879569-56-9 |
|---|---|
| SMILES | CN(C)CCN1C(C2=C(C1=O)OC3=C(C2=O)C=CC(=C3)OC)C4=CC=CS4 |
Product Overview
IBS_STOCK5S-90083 (CAS 879569-56-9), with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol. IUPAC: 2-[2-(dimethylamino)ethyl]-6-methoxy-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
Chemical Property Profile of IBS_STOCK5S-90083
Property Insights of IBS_STOCK5S-90083
The XLogP value of 2.9699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IBS_STOCK5S-90083. The TPSA of 62.99 Ų falls within the moderate polarity range, balancing permeability and solubility for IBS_STOCK5S-90083. Following Lipinski's Rule of Five, IBS_STOCK5S-90083 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 IBS_STOCK5S-90083?
The CAS number of IBS_STOCK5S-90083 is 879569-56-9.
What is the molecular formula of IBS_STOCK5S-90083?
The molecular formula of IBS_STOCK5S-90083 is C20H20N2O4S.
What is the molecular weight of IBS_STOCK5S-90083?
The molecular weight of IBS_STOCK5S-90083 is 384.11 g/mol.
Where can I buy IBS_STOCK5S-90083?
You can request a quote for IBS_STOCK5S-90083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IBS_STOCK5S-90083?
Yes, KEHONG BIO provides custom synthesis services for IBS_STOCK5S-90083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.