Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
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What are the key identifiers for cyclohexyl N-[5-[2-[[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecanoyl]amino]-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate (CAS 3070346-91-4)?
cyclohexyl N-[5-[2-[[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecanoyl]amino]-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate is identified by CAS 3070346-91-4, with molecular formula C54H70N8O7S2, molecular weight 1007.3, InChIKey KVDLSQZBDWJNSG-VINRIKPSSA-N.
Can I request a COA for CAS 3070346-91-4?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for cyclohexyl N-[5-[2-[[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecanoyl]amino]-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Identity & specification
Molecular formula
C54H70N8O7S2
Molecular weight
1007.3 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request
For laboratory research and professional procurement workflows.
Show calculated structure fields
Heavy atom count
71
H-bond acceptors
15
H-bond donors
5
Rotatable bonds
21
Ring count
7
Aromatic rings
5
Topological polar surface area
204.84 Ų
Computed LogP
10.63
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.
Catalog Facts
Structural features
30 g/mol, PubChem CID 176154698.
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.
![cyclohexyl N-[5-[2-[[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecanoyl]amino]-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate molecular structure, CAS 3070346-91-4](/structure-images/3070346-91-4.png?v=struct-v3)