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CAS 873551-03-2 Tolterodine S-Enantiomer (15 mg) ((S)-2-[3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol tartrate) molecular structure lightbox
CAS RN: 873551-03-2

Tolterodine S-Enantiomer (15 mg) ((S)-2-[3-(Diisopropylamino)-1-phenylpropyl]-4-methylphenol tartrate)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS873551-03-2
  • Purity/Analytical Methods: >99.0%
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873551-03-2 / (2R,3R)-2,3-dihydroxybutanedioic acid;2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol

Standard CAS: 873551-03-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
873551-03-2
Multi CAS
No
Molecular Formula
C26H37NO7
Molecular Weight
475.600000
Exact Mass
475.257003
InChI
InChI=1S/C22H31NO.C4H6O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;1-,2-/m01/s1
InChIKey
TWHNMSJGYKMTRB-CDHDNNKHSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
5
Molar refractivity
130.01
TPSA
138.53

LogP / Solubility

WLOGP
3.22
MLOGP
2.87
XLogP3
3.22
Consensus LogP
3.1
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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