[email protected]
CAS 1069120-19-9 cis-1-(Boc-aMino)-4-(2-hydroxyethyl)cyclohexane molecular structure lightbox
CAS RN: 1069120-19-9

cis-1-(Boc-aMino)-4-(2-hydroxyethyl)cyclohexane

  • Product code: SSC-008413
GET A QUOTE
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: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1069120-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1069120-19-9 / tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]carbamate

tert-Butyl (trans-4-(2-hydroxyethyl)cyclohexyl)carbamate | Tert-Butyl Cis-4-(2-Hydroxyethyl)Cyclohexylcarbamate | tert-Butyl trans-4-(2-hydroxyethyl)cyclohexylcarbamate

Standard CAS: 1069120-19-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1069120-19-9
Multi CAS
Yes
Molecular Formula
C13H25NO3
Molecular Weight
243.340000
Exact Mass
243.183444
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)CCO
InChI
InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKey
KTNFSGIXLVLQNK-UHFFFAOYSA-N
Synonyms
tert-Butyl (trans-4-(2-hydroxyethyl)cyclohexyl)carbamate Tert-Butyl Cis-4-(2-Hydroxyethyl)Cyclohexylcarbamate tert-Butyl trans-4-(2-hydroxyethyl)cyclohexylcarbamate tert-Butyl trans-4-(2-hydroxyethyl)-cyclohexylcarbamate tert-Butyl cis-4-(2-hydroxyethyl)-cyclohexylcarbamate

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
66.82
TPSA
58.56

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.46

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us