CAS RN: 242478-38-2

Solifenacin Succinate

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6 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 100mg Out of stock Inquiry
Batchno.20260424 10mg In stock Wuhan Inquiry
Batchno.20260509 1g Out of stock Inquiry
Batchno.20250116 1mg In stock Wuhan Inquiry
Batchno.20250104 250mg Out of stock Inquiry
Batchno.20260628 5g Out of stock Inquiry
  • Product code: ICTS0944
  • Purity/Analytical Methods: >98.0%(HPLC)
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242478-38-2 / [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;butanedioic acid

Standard CAS: 242478-38-2 Multi CAS: No

Basic Information

CAS
242478-38-2
Multi CAS
No
Molecular Formula
C27H32N2O6
Molecular Weight
480.600000
Exact Mass
480.226037
SMILES
C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5.C(CC(=O)O)C(=O)O
InChI
InChI=1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22-;/m0./s1
InChIKey
RXZMMZZRUPYENV-VROPFNGYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
129.08
TPSA
107.38

LogP / Solubility

WLOGP
3.8
MLOGP
3.38
XLogP3
3.8
Consensus LogP
3.66
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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