BAS 00318305
TL;DR: BAS 00318305 (CAS 345977-31-3) is a chemical compound with molecular formula C13H13BrN4O4 and molecular weight 368.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
Also Known As: BAS 00318305, 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide, 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide, 2-(4-bromo-5-methyl-3-nitropyrazolyl)-N-(2-hydroxy-5-methylphenyl)acetamide, 2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}-N-(2-hydroxy-5-methylphenyl)acetamide
| Molecular Formula | C13H13BrN4O4 |
|---|---|
| Molecular Weight | 368.01 g/mol |
| LogP | 2.51494 |
| Topological Polar Surface Area | 110.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.01202 |
| Heavy Atoms | 22 |
| Complexity | 756.73865 |
Chemical Identifiers
| CAS Number | 345977-31-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C |
Product Overview
BAS 00318305 (CAS 345977-31-3), with molecular formula C13H13BrN4O4 and molecular weight 368.01 g/mol. IUPAC: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide.
Chemical Property Profile of BAS 00318305
Property Insights of BAS 00318305
The XLogP value of 2.51494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00318305. The TPSA of 110.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00318305. Following Lipinski's Rule of Five, BAS 00318305 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 00318305?
The CAS number of BAS 00318305 is 345977-31-3.
What is the molecular formula of BAS 00318305?
The molecular formula of BAS 00318305 is C13H13BrN4O4.
What is the molecular weight of BAS 00318305?
The molecular weight of BAS 00318305 is 368.01 g/mol.
Where can I buy BAS 00318305?
You can request a quote for BAS 00318305 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00318305?
Yes, KEHONG BIO provides custom synthesis services for BAS 00318305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.