BAS 09577834
TL;DR: BAS 09577834 (CAS 842963-60-4) is a chemical compound with molecular formula C21H24ClN3O3 and molecular weight 401.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: BAS 09577834, AP-970/42895120, N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [3-chloro-2-(4-ethyl-piperazin-1-yl)-phenyl]-amide, N-[3-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
| Molecular Formula | C21H24ClN3O3 |
|---|---|
| Molecular Weight | 401.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.1506 |
| Heavy Atoms | 28 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 842963-60-4 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC4=C(C=C3)OCCO4 |
| InChIKey | WDFQBMQDRJBLMA-UHFFFAOYSA-N |
Product Overview
BAS 09577834 (CAS 842963-60-4), with molecular formula C21H24ClN3O3 and molecular weight 401.15 g/mol. IUPAC: N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of BAS 09577834
Property Insights of BAS 09577834
The XLogP value of 3.4 indicates that BAS 09577834 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, BAS 09577834 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 09577834 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 BAS 09577834?
The CAS number of BAS 09577834 is 842963-60-4.
What is the molecular formula of BAS 09577834?
The molecular formula of BAS 09577834 is C21H24ClN3O3.
What is the molecular weight of BAS 09577834?
The molecular weight of BAS 09577834 is 401.15 g/mol.
Where can I buy BAS 09577834?
You can request a quote for BAS 09577834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09577834?
Yes, KEHONG BIO provides custom synthesis services for BAS 09577834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.