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CAS 134108-76-2 [(1R,2R)-2-hydroxycyclohexyl]CarbaMic acidphenylMethyl ester molecular structure lightbox
CAS RN: 134108-76-2

[(1R,2R)-2-hydroxycyclohexyl]CarbaMic acidphenylMethyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS134108-76-2
  • Purity/Analytical Methods: >99.0%
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134108-76-2 / benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate

Standard CAS: 134108-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134108-76-2
Multi CAS
No
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
SMILES
C1CC[C@H]([C@@H](C1)NC(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C14H19NO3/c16-13-9-5-4-8-12(13)15-14(17)18-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,15,17)/t12-,13-/m1/s1
InChIKey
IDQLGJJPYSFXPM-CHWSQXEVSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.03
TPSA
58.56

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.1
Consensus LogP
2.09
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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