CAS RN: 943962-47-8
BMS 303141
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6 package records6 with current stock3 grade groups
- Product code: starshine_CAS943962-47-8
- Purity/Analytical Methods: >99.0%
943962-47-8 / 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
Basic Information
CAS
943962-47-8
Multi CAS
Yes
Molecular Formula
C19H15CL2NO4S
Molecular Weight
424.300000
Exact Mass
423.009885
InChI
InChI=1S/C19H15Cl2NO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3
InChIKey
SIIPNDKXZOTLEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
107.37
TPSA
75.63
LogP / Solubility
WLOGP
5.18
MLOGP
4.58
XLogP3
5.5
Consensus LogP
5.09
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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