CAS RN: 72597-34-3
(1R)-10-CAMPHORSULFONAMIDE
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS72597-34-3
- Purity/Analytical Methods: >99.0%
72597-34-3 / (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
Basic Information
CAS
72597-34-3
Multi CAS
Yes
Molecular Formula
C10H17NO3S
Molecular Weight
231.310000
Exact Mass
231.092915
InChI
InChI=1S/C10H17NO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3,(H2,11,13,14)
InChIKey
SBLUNABTQYDFJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.54
TPSA
77.23
LogP / Solubility
WLOGP
0.67
MLOGP
0.59
XLogP3
0.4
Consensus LogP
0.55
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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