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CAS 2308507-34-6 Carbamic acid, N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 2308507-34-6

Carbamic acid, N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, 1,1-dimethylethyl ester

  • Product code: SSC-112517
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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 2308507-34-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2308507-34-6 / tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate

Standard CAS: 2308507-34-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2308507-34-6
Multi CAS
No
Molecular Formula
C16H20N2O2S
Molecular Weight
304.400000
Exact Mass
304.124549
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C16H20N2O2S/c1-11-14(21-10-18-11)13-7-5-12(6-8-13)9-17-15(19)20-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,19)
InChIKey
QVZWBGUVSPTOQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.36
TPSA
51.22

LogP / Solubility

WLOGP
4.14
MLOGP
3.66
XLogP3
3.5
Consensus LogP
3.77
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
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)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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