BAS 00318339
TL;DR: BAS 00318339 (CAS 353499-45-3) is a chemical compound with molecular formula C13H12ClN5O6 and molecular weight 369.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)acetamide
Also Known As: BAS 00318339, BIM-0018361.P001, 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)acetamide, 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)acetamide, 2-(4-chloro-5-methyl-3-nitropyrazolyl)-N-(5-methoxy-3-nitrophenyl)acetamide
| Molecular Formula | C13H12ClN5O6 |
|---|---|
| Molecular Weight | 369.05 g/mol |
| LogP | 2.30862 |
| Topological Polar Surface Area | 142.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.0476 |
| Heavy Atoms | 25 |
| Complexity | 864.8347 |
Chemical Identifiers
| CAS Number | 353499-45-3 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)OC)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
BAS 00318339 (CAS 353499-45-3), with molecular formula C13H12ClN5O6 and molecular weight 369.05 g/mol. IUPAC: 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)acetamide.
Chemical Property Profile of BAS 00318339
Property Insights of BAS 00318339
The XLogP value of 2.30862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00318339. The TPSA of 142.43 Ų indicates high polarity, suggesting BAS 00318339 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00318339 has 1 hydrogen bond donor(s) and 7 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 00318339?
The CAS number of BAS 00318339 is 353499-45-3.
What is the molecular formula of BAS 00318339?
The molecular formula of BAS 00318339 is C13H12ClN5O6.
What is the molecular weight of BAS 00318339?
The molecular weight of BAS 00318339 is 369.05 g/mol.
Where can I buy BAS 00318339?
You can request a quote for BAS 00318339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00318339?
Yes, KEHONG BIO provides custom synthesis services for BAS 00318339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.