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CAS 1973408-97-7 (S)-tert-butyl (1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamate molecular structure lightbox
CAS RN: 1973408-97-7

(S)-tert-butyl (1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251207 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-093057
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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: 0.1g, 0.25g, 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 1973408-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1973408-97-7 / tert-butyl N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamate

Standard CAS: 1973408-97-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1973408-97-7
Multi CAS
No
Molecular Formula
C17H22N2O2S
Molecular Weight
318.400000
Exact Mass
318.140199
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H22N2O2S/c1-11(19-16(20)21-17(3,4)5)13-6-8-14(9-7-13)15-12(2)18-10-22-15/h6-11H,1-5H3,(H,19,20)/t11-/m0/s1
InChIKey
RJJHLQJCHIINDW-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.41
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.07
TPSA
51.22

LogP / Solubility

WLOGP
4.7
MLOGP
4.15
XLogP3
3.9
Consensus LogP
4.25
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.32

Drug-likeness / Medicinal Chemistry

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

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