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CAS 383-23-3 OTAVA-BB BB7011460335 molecular structure lightbox
CAS RN: 383-23-3

OTAVA-BB BB7011460335

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Batchno.20251104 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS383-23-3
  • Purity/Analytical Methods: >99.0%
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383-23-3 / 4-(4-fluorophenyl)sulfonylmorpholine

Standard CAS: 383-23-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
383-23-3
Multi CAS
No
Molecular Formula
C10FH12NO3S
Molecular Weight
245.270000
Exact Mass
245.052193
InChI
InChI=1S/C10H12FNO3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2
InChIKey
LDBBCISSYGDVIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
55.98
TPSA
46.61

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
0.8
Consensus LogP
0.8
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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