BAS 01095329
TL;DR: BAS 01095329 (CAS 299933-11-2) is a chemical compound with molecular formula C17H22N6O3 and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(4-nitrophenyl)-4-(2-piperazin-1-ylethyliminomethyl)-1H-pyrazol-3-one
Also Known As: BAS 01095329, (4E)-5-methyl-2-(4-nitrophenyl)-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one, (4Z)-5-methyl-2-(4-nitrophenyl)-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one, 5-methyl-2-(4-nitrophenyl)-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one, (4{Z})-5-methyl-2-(4-nitrophenyl)-4-{[(2-piperazin-1-ylethyl)amino]methylene}-2,4-dihydro-3{H}-pyrazol-3-one
| Molecular Formula | C17H22N6O3 |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 0.70632 |
| Topological Polar Surface Area | 108.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.17532 |
| Heavy Atoms | 26 |
| Complexity | 846.3734 |
Chemical Identifiers
| CAS Number | 299933-11-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NCCN3CCNCC3 |
Product Overview
BAS 01095329 (CAS 299933-11-2), with molecular formula C17H22N6O3 and molecular weight 358.18 g/mol. IUPAC: 5-methyl-2-(4-nitrophenyl)-4-(2-piperazin-1-ylethyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01095329
Property Insights of BAS 01095329
The XLogP value of 0.70632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01095329. The TPSA of 108.56 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01095329. Following Lipinski's Rule of Five, BAS 01095329 has 2 hydrogen bond donor(s) and 6 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 01095329?
The CAS number of BAS 01095329 is 299933-11-2.
What is the molecular formula of BAS 01095329?
The molecular formula of BAS 01095329 is C17H22N6O3.
What is the molecular weight of BAS 01095329?
The molecular weight of BAS 01095329 is 358.18 g/mol.
Where can I buy BAS 01095329?
You can request a quote for BAS 01095329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01095329?
Yes, KEHONG BIO provides custom synthesis services for BAS 01095329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.