BAS 11786531
TL;DR: BAS 11786531 (CAS 876885-72-2) is a chemical compound with molecular formula C21H22ClN3O4 and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: BAS 11786531, AP-970/43375781, N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C21H22ClN3O4 |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 3.032 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.12988 |
| Heavy Atoms | 29 |
| Complexity | 941.5186 |
Chemical Identifiers
| CAS Number | 876885-72-2 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl |
Product Overview
BAS 11786531 (CAS 876885-72-2), with molecular formula C21H22ClN3O4 and molecular weight 415.13 g/mol. IUPAC: N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of BAS 11786531
Property Insights of BAS 11786531
The XLogP value of 3.032 indicates that BAS 11786531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11786531. Following Lipinski's Rule of Five, BAS 11786531 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 11786531?
The CAS number of BAS 11786531 is 876885-72-2.
What is the molecular formula of BAS 11786531?
The molecular formula of BAS 11786531 is C21H22ClN3O4.
What is the molecular weight of BAS 11786531?
The molecular weight of BAS 11786531 is 415.13 g/mol.
Where can I buy BAS 11786531?
You can request a quote for BAS 11786531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11786531?
Yes, KEHONG BIO provides custom synthesis services for BAS 11786531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.