BAS 01095301
TL;DR: BAS 01095301 (CAS 299935-10-7) is a chemical compound with molecular formula C13H14N4O4 and molecular weight 290.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethyliminomethyl)-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: BAS 01095301, AJ-292/14243004, 4-{[(2-hydroxyethyl)imino]methyl}-2-{4-nitrophenyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one, (4E)-4-[(2-hydroxyethylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, 4-(2-hydroxyethyliminomethyl)-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
| Molecular Formula | C13H14N4O4 |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | 0.79342 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.1015 |
| Heavy Atoms | 21 |
| Complexity | 727.6198 |
Chemical Identifiers
| CAS Number | 299935-10-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NCCO |
Product Overview
BAS 01095301 (CAS 299935-10-7), with molecular formula C13H14N4O4 and molecular weight 290.10 g/mol. IUPAC: 4-(2-hydroxyethyliminomethyl)-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01095301
Property Insights of BAS 01095301
The XLogP value of 0.79342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01095301. The TPSA of 113.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01095301. Following Lipinski's Rule of Five, BAS 01095301 has 2 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 01095301?
The CAS number of BAS 01095301 is 299935-10-7.
What is the molecular formula of BAS 01095301?
The molecular formula of BAS 01095301 is C13H14N4O4.
What is the molecular weight of BAS 01095301?
The molecular weight of BAS 01095301 is 290.10 g/mol.
Where can I buy BAS 01095301?
You can request a quote for BAS 01095301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01095301?
Yes, KEHONG BIO provides custom synthesis services for BAS 01095301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.