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CAS 725255-70-9 Carbamic acid, (4-methylenecyclohexyl)-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 725255-70-9

Carbamic acid, (4-methylenecyclohexyl)-, 1,1-dimethylethyl ester (9CI)

  • Product code: SSC-182031
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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, 25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 725255-70-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

725255-70-9 / tert-butyl N-(4-methylidenecyclohexyl)carbamate

Standard CAS: 725255-70-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
725255-70-9
Multi CAS
No
Molecular Formula
C12H21NO2
Molecular Weight
211.300000
Exact Mass
211.157229
InChI
InChI=1S/C12H21NO2/c1-9-5-7-10(8-6-9)13-11(14)15-12(2,3)4/h10H,1,5-8H2,2-4H3,(H,13,14)
InChIKey
RORBKRGGCPRUPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.77
TPSA
38.33

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
2.5
Consensus LogP
2.72
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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