BAS 00288666
TL;DR: BAS 00288666 (CAS 330819-48-2) is a chemical compound with molecular formula C14H14N4O7S and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetic acid
Also Known As: BAS 00288666, 2-((1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetic acid, [(4-nitro-1-{3-nitro-4-methoxybenzyl}-2-methyl-1H-imidazol-5-yl)sulfanyl]acetic acid, [3-(4-Methoxy-3-nitro-benzyl)-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl]-acetic, {[1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]sulfanyl}acetic acid
| Molecular Formula | C14H14N4O7S |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | 2.24152 |
| Topological Polar Surface Area | 150.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.05832 |
| Heavy Atoms | 26 |
| Complexity | 880.42053 |
Chemical Identifiers
| CAS Number | 330819-48-2 |
|---|---|
| SMILES | CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC(=O)O)[N+](=O)[O-] |
Product Overview
BAS 00288666 (CAS 330819-48-2), with molecular formula C14H14N4O7S and molecular weight 382.06 g/mol. IUPAC: 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetic acid.
Chemical Property Profile of BAS 00288666
Property Insights of BAS 00288666
The XLogP value of 2.24152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00288666. The TPSA of 150.63 Ų indicates high polarity, suggesting BAS 00288666 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00288666 has 1 hydrogen bond donor(s) and 8 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 00288666?
The CAS number of BAS 00288666 is 330819-48-2.
What is the molecular formula of BAS 00288666?
The molecular formula of BAS 00288666 is C14H14N4O7S.
What is the molecular weight of BAS 00288666?
The molecular weight of BAS 00288666 is 382.06 g/mol.
Where can I buy BAS 00288666?
You can request a quote for BAS 00288666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288666?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.