BAS 11780922
TL;DR: BAS 11780922 (CAS 876896-96-7) is a chemical compound with molecular formula C22H25N3O4 and molecular weight 395.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-propanoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: BAS 11780922, AP-970/43375895, N-[4-(4-propanoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-[4-(4-propionyl-1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C22H25N3O4 |
|---|---|
| Molecular Weight | 395.18 g/mol |
| LogP | 2.7687 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.1845 |
| Heavy Atoms | 29 |
| Complexity | 889.4304 |
Chemical Identifiers
| CAS Number | 876896-96-7 |
|---|---|
| SMILES | CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
BAS 11780922 (CAS 876896-96-7), with molecular formula C22H25N3O4 and molecular weight 395.18 g/mol. IUPAC: N-[4-(4-propanoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of BAS 11780922
Property Insights of BAS 11780922
The XLogP value of 2.7687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11780922. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11780922. Following Lipinski's Rule of Five, BAS 11780922 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 11780922?
The CAS number of BAS 11780922 is 876896-96-7.
What is the molecular formula of BAS 11780922?
The molecular formula of BAS 11780922 is C22H25N3O4.
What is the molecular weight of BAS 11780922?
The molecular weight of BAS 11780922 is 395.18 g/mol.
Where can I buy BAS 11780922?
You can request a quote for BAS 11780922 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11780922?
Yes, KEHONG BIO provides custom synthesis services for BAS 11780922 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.