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CAS 207679-81-0 (R)-5-HydroxyMethyl Tolterodine molecular structure lightbox
CAS RN: 207679-81-0

(R)-5-HydroxyMethyl Tolterodine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 1mg / 5mg / 25mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS207679-81-0
  • Purity/Analytical Methods: >99.0%
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207679-81-0 / 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol

Standard CAS: 207679-81-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207679-81-0
Multi CAS
No
Molecular Formula
C22H31NO2
Molecular Weight
341.500000
Exact Mass
341.235479
SMILES
CC(C)N(CC[C@H](C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C
InChI
InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1
InChIKey
DUXZAXCGJSBGDW-HXUWFJFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
103.91
TPSA
43.7

LogP / Solubility

WLOGP
4.53
MLOGP
4
XLogP3
4.4
Consensus LogP
4.31
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.6
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
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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