Research chemical
CAS Number: 1212084-06-4
![4-{11-[2-(butan-2-yloxy)phenyl]-3-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid molecular structure, CAS 1212084-06-4](/structure-images/1212084-06-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4256217
Exact Mass
598.267902
InChIKey
XCWQBYPGBWDIQW-UHFFFAOYSA-N
IUPAC Name
4-[6-(2-butan-2-yloxyphenyl)-9-(3,4-dimethoxyphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
SMILES String
CCC(C)Oc1ccccc1C1C2=C(CC(c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)O
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4-{11-[2-(butan-2-yloxy)phenyl]-3-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is identified by CAS 1212084-06-4, with molecular formula C35H38N2O7, molecular weight 598.7, InChIKey XCWQBYPGBWDIQW-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
44
H-bond acceptors
9
H-bond donors
2
Rotatable bonds
10
Ring count
5
Aromatic rings
3
Topological polar surface area
114.4 Ų
Computed LogP
6.65
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
4-{11-[2-(butan-2-yloxy)phenyl]-3-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid (CAS 1212084-06-4) is maintained as a commercial cas reference with formula C35H38N2O7, molecular weight 598.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.