CAS RN: 488703-61-3
(S,S)-2-Carbamoylcyclohexanecarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250207 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS488703-61-3
- Purity/Analytical Methods: >99.0%
488703-61-3 / 2-carbamoylcyclohexane-1-carboxylic acid
Basic Information
CAS
488703-61-3
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-/m0/s1
InChIKey
LNNRRNLGMOUZCT-WDSKDSINSA-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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