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CAS 1306763-61-0 Carbamic acid,N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]-N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1306763-61-0

Carbamic acid,N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]-N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-, 1,1-dimethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250322 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-037278
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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 1306763-61-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1306763-61-0 / tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate

Standard CAS: 1306763-61-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1306763-61-0
Multi CAS
No
Molecular Formula
C23H36N2O3Si
Molecular Weight
416.600000
Exact Mass
416.249520
SMILES
CC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)[C@H]1CCC2=C(C=CC=C12)C#N
InChI
InChI=1S/C23H36N2O3Si/c1-22(2,3)28-21(26)25(14-15-27-29(7,8)23(4,5)6)20-13-12-18-17(16-24)10-9-11-19(18)20/h9-11,20H,12-15H2,1-8H3/t20-/m0/s1
InChIKey
YKLSSMFSVFVQFT-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
118.31
TPSA
62.56

LogP / Solubility

WLOGP
5.8
MLOGP
5.13
XLogP3
5.8
Consensus LogP
5.58
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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