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CAS 223645-67-8 Ripasudil molecular structure lightbox
CAS RN: 223645-67-8

Ripasudil

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250131 2mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS223645-67-8
  • Purity/Analytical Methods: >99.0%
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223645-67-8 / 4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline

Standard CAS: 223645-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
223645-67-8
Multi CAS
No
Molecular Formula
C15H18FN3O2S
Molecular Weight
323.400000
Exact Mass
323.110376
SMILES
C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F
InChI
InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1
InChIKey
QSKQVZWVLOIIEV-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.54
TPSA
62.3

LogP / Solubility

WLOGP
1.75
MLOGP
1.55
XLogP3
1.5
Consensus LogP
1.6
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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