CAS RN: 46471-67-4
Methyl (+/-)-10-Camphorsulfonate
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS46471-67-4
- Purity/Analytical Methods: >99.0%
46471-67-4 / methyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
Basic Information
CAS
46471-67-4
Multi CAS
Yes
Molecular Formula
C11H18O4S
Molecular Weight
246.330000
Exact Mass
246.092580
InChI
InChI=1S/C11H18O4S/c1-10(2)8-4-5-11(10,9(12)6-8)7-16(13,14)15-3/h8H,4-7H2,1-3H3
InChIKey
PIZJIRRXGXBJAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
59.36
TPSA
60.44
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
1.1
Consensus LogP
1.22
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 46492-08-4 BENZ[G]ISOQUINOLINE-5,10-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/46492-08-4.gif)
