AB00115766-01
TL;DR: AB00115766-01 (CAS 378221-00-2) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[(E)-3-oxo-3-pyrrolidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Also Known As: AB00115766-01, 3,4-dimethoxy-N-[(1E)-3-oxo-3-(pyrrolidin-1-yl)-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide, 3,4-dimethoxy-N-[(E)-3-oxo-3-pyrrolidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl]benzamide, (E)-3,4-dimethoxy-N-(3-oxo-3-(pyrrolidin-1-yl)-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.1586 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 839.6715 |
Chemical Identifiers
| CAS Number | 378221-00-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)N3CCCC3)OC |
Product Overview
AB00115766-01 (CAS 378221-00-2), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: 3,4-dimethoxy-N-[(E)-3-oxo-3-pyrrolidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl]benzamide.
Chemical Property Profile of AB00115766-01
Property Insights of AB00115766-01
The XLogP value of 3.1586 indicates that AB00115766-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115766-01. Following Lipinski's Rule of Five, AB00115766-01 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 AB00115766-01?
The CAS number of AB00115766-01 is 378221-00-2.
What is the molecular formula of AB00115766-01?
The molecular formula of AB00115766-01 is C20H22N2O4S.
What is the molecular weight of AB00115766-01?
The molecular weight of AB00115766-01 is 386.13 g/mol.
Where can I buy AB00115766-01?
You can request a quote for AB00115766-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115766-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115766-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.