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CAS 55550-84-0 1-AMINO-3-METHYLCYCLOHEXANECARBOXYLIC ACID molecular structure lightbox
CAS RN: 55550-84-0

1-AMINO-3-METHYLCYCLOHEXANECARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251121 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS55550-84-0
  • Purity/Analytical Methods: >99.0%
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55550-84-0 / 1-amino-3-methylcyclohexane-1-carboxylic acid

Standard CAS: 55550-84-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55550-84-0
Multi CAS
Yes
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
InChI
InChI=1S/C8H15NO2/c1-6-3-2-4-8(9,5-6)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
InChIKey
CTSBXWGZZLXIRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.19
TPSA
63.32

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
-1.4
Consensus LogP
0.15
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-2.98

Drug-likeness / Medicinal Chemistry

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

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