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CAS 1260606-26-5 (R)-3-(Boc-amino)-3-cyclohexylpropionic Acid molecular structure lightbox
CAS RN: 1260606-26-5

(R)-3-(Boc-amino)-3-cyclohexylpropionic Acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250926 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1260606-26-5
  • Purity/Analytical Methods: >99.0%
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1260606-26-5 / (3R)-3-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 1260606-26-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1260606-26-5
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1CCCCC1
InChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKey
JRQQQMPMEZFLGD-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.99
TPSA
75.63

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
2.9
Consensus LogP
2.81
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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