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CAS 1149765-08-1 tert-Butyl (S)-2-(2,6-Dichlorophenyl)-5-oxo-3-[(S)-1-phenylethyl]imidazolidine-1-carboxylate molecular structure lightbox
CAS RN: 1149765-08-1

tert-Butyl (S)-2-(2,6-Dichlorophenyl)-5-oxo-3-[(S)-1-phenylethyl]imidazolidine-1-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260406 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-014668
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1149765-08-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1149765-08-1 / tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1S)-1-phenylethyl]imidazolidine-1-carboxylate

tert-Butyl (S)-2-(2,6-Dichlorophenyl)-5-oxo-3-[(S)-1-phenylethyl]imidazolidine-1-carboxylate | tert-Butyl (S)-2-(2,6-dichlorophenyl)-5-oxo-3-((S)-1-phenylethyl)imidazolidine-1-carboxylate | MFCD30187601

Standard CAS: 1149765-08-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1149765-08-1
Multi CAS
Yes
Molecular Formula
C22H24Cl2N2O3
Molecular Weight
435.300000
Exact Mass
434.116398
SMILES
C[C@@H](C1=CC=CC=C1)N2CC(=O)N([C@H]2C3=C(C=CC=C3Cl)Cl)C(=O)OC(C)(C)C
InChI
InChI=1S/C22H24Cl2N2O3/c1-14(15-9-6-5-7-10-15)25-13-18(27)26(21(28)29-22(2,3)4)20(25)19-16(23)11-8-12-17(19)24/h5-12,14,20H,13H2,1-4H3/t14-,20-/m0/s1
InChIKey
SOLKOHWHUFSAHU-XOBRGWDASA-N
Synonyms
tert-Butyl (S)-2-(2,6-Dichlorophenyl)-5-oxo-3-[(S)-1-phenylethyl]imidazolidine-1-carboxylate tert-Butyl (S)-2-(2,6-dichlorophenyl)-5-oxo-3-((S)-1-phenylethyl)imidazolidine-1-carboxylate MFCD30187601 tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1S)-1-phenylethyl]imidazolidine-1-carboxylate SCHEMBL12637377

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
113.85
TPSA
49.85

LogP / Solubility

WLOGP
5.83
MLOGP
5.16
XLogP3
5.5
Consensus LogP
5.5
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-7.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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