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CAS 239074-29-4 TERT-BUTYL TRANS-(4-HYDROXYMETHYL)CYCLOHEXYLCARBAMATE molecular structure lightbox
CAS RN: 239074-29-4

TERT-BUTYL TRANS-(4-HYDROXYMETHYL)CYCLOHEXYLCARBAMATE

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 100g Out of stock Inquiry
Batchno.20250704 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20250628 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250522 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260413 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260421 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260102 5g / 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-116806
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 239074-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

239074-29-4 / tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate

Standard CAS: 239074-29-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
239074-29-4
Multi CAS
No
Molecular Formula
C12H23NO3
Molecular Weight
229.320000
Exact Mass
229.167794
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)CO
InChI
InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKey
SGNKPJPMWHKOJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.2
TPSA
58.56

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
1.8
Consensus LogP
1.89
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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