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CAS 291756-09-7 Carbamic acid, (4-methyl-3-cyclohexen-1-yl)-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 291756-09-7

Carbamic acid, (4-methyl-3-cyclohexen-1-yl)-, 1,1-dimethylethyl ester (9CI)

  • Product code: SSC-131461
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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: 0.25g
  • 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 291756-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

291756-09-7 / tert-butyl N-(4-methylcyclohex-3-en-1-yl)carbamate

Standard CAS: 291756-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
291756-09-7
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/h5,10H,6-8H2,1-4H3,(H,13,14)
InChIKey
PCOYCFJCVTWMFV-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
2.4
Consensus LogP
2.69
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
2

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