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CAS 172348-63-9 trans-4-(Boc-aMinoMethyl)cyclohexaneMethanol molecular structure lightbox
CAS RN: 172348-63-9

trans-4-(Boc-aMinoMethyl)cyclohexaneMethanol

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251121 250mg In stock Shanghai Inquiry
Batchno.20251012 25g In stock Shanghai Inquiry
Batchno.20251203 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-075780
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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: 0.25g, 1g, 5g, 10g
  • 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 172348-63-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 2 In Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

172348-63-9 / tert-butyl N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamate

Standard CAS: 172348-63-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172348-63-9
Multi CAS
No
Molecular Formula
C13H25NO3
Molecular Weight
243.340000
Exact Mass
243.183444
SMILES
CC(C)(C)OC(=O)NCC1CCC(CC1)CO
InChI
InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKey
KSXPGASLEFGROT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.77
TPSA
58.56

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.56

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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