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CAS 561307-54-8 cis-(4-Hydroxy-cyclohexyl)-Methyl-carbaMic acid tert-butyl ester molecular structure lightbox
CAS RN: 561307-54-8

cis-(4-Hydroxy-cyclohexyl)-Methyl-carbaMic acid tert-butyl ester

  • Product code: SSC-164107
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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, 5g
  • 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 561307-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

561307-54-8 / tert-butyl N-(4-hydroxycyclohexyl)-N-methylcarbamate

Standard CAS: 561307-54-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
561307-54-8
Multi CAS
Yes
Molecular Formula
C12H23NO3
Molecular Weight
229.320000
Exact Mass
229.167794
InChI
InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9-10,14H,5-8H2,1-4H3
InChIKey
UJHKURDWYJBHPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.26
TPSA
49.77

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.59

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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