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CAS 488703-59-9 (R,R)-2-Carbamoylcyclohexanecarboxylic acid molecular structure lightbox
CAS RN: 488703-59-9

(R,R)-2-Carbamoylcyclohexanecarboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250421 100g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS488703-59-9
  • Purity/Analytical Methods: >99.0%
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488703-59-9 / 2-carbamoylcyclohexane-1-carboxylic acid

Standard CAS: 488703-59-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
488703-59-9
Multi CAS
Yes
Molecular Formula
C8H13NO3
Molecular Weight
171.190000
Exact Mass
171.089543
InChI
InChI=1S/C8H13NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H2,9,10)(H,11,12)/t5-,6-/m1/s1
InChIKey
LNNRRNLGMOUZCT-PHDIDXHHSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.28
TPSA
80.39

LogP / Solubility

WLOGP
0.36
MLOGP
0.32
XLogP3
0.2
Consensus LogP
0.29
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

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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