Research chemical
CAS Number: 330819-48-2
![{[1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]sulfanyl}acetic acid molecular structure, CAS 330819-48-2](/structure-images/330819-48-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3097703
Exact Mass
382.05832
InChIKey
XEJOAPYQLZDCBX-UHFFFAOYSA-N
IUPAC Name
2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetic acid
SMILES String
COc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SCC(=O)O)cc1[N+](=O)[O-]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
{[1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]sulfanyl}acetic acid is identified by CAS 330819-48-2, with molecular formula C14H14N4O7S, molecular weight 382.35, InChIKey XEJOAPYQLZDCBX-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
26
H-bond acceptors
11
H-bond donors
1
Rotatable bonds
8
Ring count
2
Aromatic rings
2
Topological polar surface area
150.63 Ų
Computed LogP
2.24
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
{[1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]sulfanyl}acetic acid (CAS 330819-48-2) is maintained as a commercial cas reference with formula C14H14N4O7S, molecular weight 382. 35 g/mol, PubChem CID 3097703.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.