Research chemical
CAS Number: 101001-72-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
127736
Exact Mass
420.114378
InChIKey
KJSPVPWIMGZXOF-UHFFFAOYSA-N
IUPAC Name
2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetic acid
SMILES String
COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CN3CC(=O)O)C4=CC=C(C=C4)OC
No physical property values available.
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.
desethyl KB 3022 is identified by CAS 101001-72-3, with molecular formula C23H20N2O4S, molecular weight 420.5, InChIKey KJSPVPWIMGZXOF-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.
XLogP
4.4
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
30
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
7
Ring count
4
Aromatic rings
4
Topological polar surface area
73.58 Ų
Computed LogP
5.05
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
desethyl KB 3022 (CAS 101001-72-3) is listed in the Inhibitors and Agonists portfolio, with molecular formula C23H20N2O4S and molecular weight 420. 50 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for biochemical and pharmacology research workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Consult the supplier SDS 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.