Research chemical
CAS Number: 2764998-32-3
![Carbamic acid, N-[(14S,18S)-18,19,20,21-tetrahydro-2-iodo-25,25-dimethyl-15,22-dioxo-17H-5,3-([4,2]-endo-thiazolopropano[1,3]-endo-pyridazinomethanoxypropano)-1H-indol-14-yl]-, 1,1-dimethylethyl ester molecular structure, CAS 2764998-32-3](/structure-images/2764998-32-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
162764108
Exact Mass
693.14819
InChIKey
NIQPKTPHVCCIHS-SFTDATJTSA-N
IUPAC Name
tert-butyl N-[(7S,13S)-20-iodo-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]carbamate
SMILES String
CC1(C)COC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2nc(cs2)-c2ccc3[nH]c(I)c(c3c2)C1
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.
Carbamic acid, N-[(14S,18S)-18,19,20,21-tetrahydro-2-iodo-25,25-dimethyl-15,22-dioxo-17H-5,3-([4,2]-endo-thiazolopropano[1,3]-endo-pyridazinomethanoxypropano)-1H-indol-14-yl]-, 1,1-dimethylethyl ester is identified by CAS 2764998-32-3, with molecular formula C29H36IN5O5S, molecular weight 693.6, InChIKey NIQPKTPHVCCIHS-SFTDATJTSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
41
H-bond acceptors
10
H-bond donors
3
Rotatable bonds
1
Ring count
5
Aromatic rings
3
Topological polar surface area
125.65 Ų
Computed LogP
4.95
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
60 g/mol, PubChem CID 162764108.
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.
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