CAS RN: 151556-57-9

(+)-2,10-(3,3-DichlorocaMphor) sultaM

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8 package records7 with current stock2 grade groups
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  • Product code: starshine_CAS151556-57-9
  • Purity/Analytical Methods: >99.0%
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151556-57-9 / (1S,5S,7S)-6,6-dichloro-10,10-dimethyl-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide

Standard CAS: 151556-57-9 Multi CAS: No

Basic Information

CAS
151556-57-9
Multi CAS
No
Molecular Formula
C10H15Cl2NO2S
Molecular Weight
284.200000
Exact Mass
283.020055
SMILES
CC1([C@@H]2CC[C@]13CS(=O)(=O)N[C@@H]3C2(Cl)Cl)C
InChI
InChI=1S/C10H15Cl2NO2S/c1-8(2)6-3-4-9(8)5-16(14,15)13-7(9)10(6,11)12/h6-7,13H,3-5H2,1-2H3/t6-,7-,9+/m0/s1
InChIKey
GIVOSROXPRXLJK-ACLDMZEESA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.09
TPSA
46.17

LogP / Solubility

WLOGP
1.9
MLOGP
1.68
XLogP3
2.2
Consensus LogP
1.93
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

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
6

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