BAS 01199937
TL;DR: BAS 01199937 (CAS 5677-94-1) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 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-pyridin-4-ylprop-2-en-1-one
Also Known As: BAS 01199937, VU0028310-4, (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylprop-2-en-1-one, 1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-pyridin-4-yl-propenone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyridinyl)-2-propen-1-one
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.7489 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 650.0265 |
Chemical Identifiers
| CAS Number | 5677-94-1 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)/C=C/C3=CC=NC=C3 |
Product Overview
BAS 01199937 (CAS 5677-94-1), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylprop-2-en-1-one.
Chemical Property Profile of BAS 01199937
Property Insights of BAS 01199937
The XLogP value of 2.7489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01199937. With a topological polar surface area (TPSA) of 48.42 Ų, BAS 01199937 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01199937 has 0 hydrogen bond donor(s) and 4 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 01199937?
The CAS number of BAS 01199937 is 5677-94-1.
What is the molecular formula of BAS 01199937?
The molecular formula of BAS 01199937 is C16H13NO3.
What is the molecular weight of BAS 01199937?
The molecular weight of BAS 01199937 is 267.09 g/mol.
Where can I buy BAS 01199937?
You can request a quote for BAS 01199937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01199937?
Yes, KEHONG BIO provides custom synthesis services for BAS 01199937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.