BAS 01316877
TL;DR: BAS 01316877 (CAS 1164501-88-5) is a chemical compound with molecular formula C18H15NO6 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one
Also Known As: BAS 01316877, (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one, 1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4-methoxy-3-nitro-phenyl)-propenone, (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one, (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one
| Molecular Formula | C18H15NO6 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 3.2707 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.08994 |
| Heavy Atoms | 25 |
| Complexity | 858.63995 |
Chemical Identifiers
| CAS Number | 1164501-88-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] |
Product Overview
BAS 01316877 (CAS 1164501-88-5), with molecular formula C18H15NO6 and molecular weight 341.09 g/mol. IUPAC: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of BAS 01316877
Property Insights of BAS 01316877
The XLogP value of 3.2707 indicates that BAS 01316877 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01316877. Following Lipinski's Rule of Five, BAS 01316877 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 BAS 01316877?
The CAS number of BAS 01316877 is 1164501-88-5.
What is the molecular formula of BAS 01316877?
The molecular formula of BAS 01316877 is C18H15NO6.
What is the molecular weight of BAS 01316877?
The molecular weight of BAS 01316877 is 341.09 g/mol.
Where can I buy BAS 01316877?
You can request a quote for BAS 01316877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01316877?
Yes, KEHONG BIO provides custom synthesis services for BAS 01316877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.