CAS RN: 98673-87-1
L-Camphor-10-suLphonic acid
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS98673-87-1
- Purity/Analytical Methods: >99.0%
98673-87-1 / [(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;hydrate
Basic Information
CAS
98673-87-1
Multi CAS
Yes
Molecular Formula
C10H18O5S
Molecular Weight
250.310000
Exact Mass
250.087495
InChI
InChI=1S/C10H16O4S.H2O/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);1H2/t7-,10-;/m1./s1
InChIKey
GAQWDBUWBUOFLS-YZUKSGEXSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.59
TPSA
102.94
LogP / Solubility
WLOGP
0.44
MLOGP
0.4
XLogP3
0.44
Consensus LogP
0.43
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5
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