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Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
45499624
Exact Mass
448.087308
InChIKey
TYQOOMMYBNTANS-UHFFFAOYSA-N
SMILES String
O=C(CSc1nnc2c3cc(-c4ccccc4)nn3ccn12)NCc1ccccc1Cl
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Catalog navigation
Related Catalog Entries
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
What are the key identifiers for N-[(2-chlorophenyl)methyl]-2-[(11-phenyl-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl)sulfanyl]acetamide (CAS 1207059-79-7)?
N-[(2-chlorophenyl)methyl]-2-[(11-phenyl-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl)sulfanyl]acetamide is identified by CAS 1207059-79-7, with molecular formula C22H17ClN6OS, molecular weight 448.9, InChIKey TYQOOMMYBNTANS-UHFFFAOYSA-N.
Can I request a COA for CAS 1207059-79-7?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for N-[(2-chlorophenyl)methyl]-2-[(11-phenyl-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl)sulfanyl]acetamide?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1207059-79-7 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Show calculated structure fields
Heavy atom count
31
H-bond acceptors
7
H-bond donors
1
Rotatable bonds
6
Ring count
5
Aromatic rings
5
Topological polar surface area
76.59 Ų
Computed LogP
4.11
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.
Catalog Facts
Structural features
N-[(2-chlorophenyl)methyl]-2-[(11-phenyl-3,4,6,9,10-pentazatricyclo[7. 3. 0. 02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl)sulfanyl]acetamide (CAS 1207059-79-7) is maintained as a commercial cas reference with formula C22H17ClN6OS, molecular weight 448.
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, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
![N-[(2-chlorophenyl)methyl]-2-[(11-phenyl-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl)sulfanyl]acetamide molecular structure, CAS 1207059-79-7](/structure-images/1207059-79-7.png?v=struct-v2)