BAS 00322787
TL;DR: BAS 00322787 (CAS 327167-54-4) is a chemical compound with molecular formula C16H18N4O7S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetate
Also Known As: BAS 00322787, [3-(4-Methoxy-3-nitro-benzyl)-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl]-acetic, ethyl [(4-nitro-1-{3-nitro-4-methoxybenzyl}-2-methyl-1H-imidazol-5-yl)sulfanyl]acetate, ethyl {[1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]sulfanyl}acetate, ethyl 2-((1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetate
| Molecular Formula | C16H18N4O7S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 2.72002 |
| Topological Polar Surface Area | 139.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.08963 |
| Heavy Atoms | 28 |
| Complexity | 912.638 |
Chemical Identifiers
| CAS Number | 327167-54-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(N=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C)[N+](=O)[O-] |
Product Overview
BAS 00322787 (CAS 327167-54-4), with molecular formula C16H18N4O7S and molecular weight 410.09 g/mol. IUPAC: ethyl 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetate.
Chemical Property Profile of BAS 00322787
Property Insights of BAS 00322787
The XLogP value of 2.72002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00322787. The TPSA of 139.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00322787. Following Lipinski's Rule of Five, BAS 00322787 has 0 hydrogen bond donor(s) and 9 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 00322787?
The CAS number of BAS 00322787 is 327167-54-4.
What is the molecular formula of BAS 00322787?
The molecular formula of BAS 00322787 is C16H18N4O7S.
What is the molecular weight of BAS 00322787?
The molecular weight of BAS 00322787 is 410.09 g/mol.
Where can I buy BAS 00322787?
You can request a quote for BAS 00322787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00322787?
Yes, KEHONG BIO provides custom synthesis services for BAS 00322787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.