BAS 01972562
TL;DR: BAS 01972562 (CAS 5712-99-2) is a chemical compound with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methylfuran-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
Also Known As: BAS 01972562, UPCMLD0ENAT5722969:001, 1-(5-methyl-2-furoyl)-4-(4-nitrophenyl)piperazine, (5-Methyl-furan-2-yl)-[4-(4-nitro-phenyl)-piperazin-1-yl]-methanone, (5-methylfuran-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
| Molecular Formula | C16H17N3O4 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 2.45862 |
| Topological Polar Surface Area | 79.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.12192 |
| Heavy Atoms | 23 |
| Complexity | 715.1815 |
Chemical Identifiers
| CAS Number | 5712-99-2 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 01972562 (CAS 5712-99-2), with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol. IUPAC: (5-methylfuran-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of BAS 01972562
Property Insights of BAS 01972562
The XLogP value of 2.45862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01972562. The TPSA of 79.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01972562. Following Lipinski's Rule of Five, BAS 01972562 has 0 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 01972562?
The CAS number of BAS 01972562 is 5712-99-2.
What is the molecular formula of BAS 01972562?
The molecular formula of BAS 01972562 is C16H17N3O4.
What is the molecular weight of BAS 01972562?
The molecular weight of BAS 01972562 is 315.12 g/mol.
Where can I buy BAS 01972562?
You can request a quote for BAS 01972562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01972562?
Yes, KEHONG BIO provides custom synthesis services for BAS 01972562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.