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CAS 67111-66-4 (1R)-(+)-CAMPHANIC ACID molecular structure lightbox
CAS RN: 67111-66-4

(1R)-(+)-CAMPHANIC ACID

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS67111-66-4
  • Purity/Analytical Methods: >99.0%
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67111-66-4 / 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

Standard CAS: 67111-66-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67111-66-4
Multi CAS
Yes
Molecular Formula
C10H14O4
Molecular Weight
198.220000
Exact Mass
198.089209
InChI
InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)
InChIKey
KPWKPGFLZGMMFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.58
TPSA
63.6

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.3
Consensus LogP
1.18
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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