CAS RN: 54965-24-1
Tamoxifen Citrate
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250308 | 1ml | In stock | Inquiry |
- Product code: ICTT2510
- Purity/Analytical Methods: >98.0%(T)(HPLC)
54965-24-1 / 2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Basic Information
CAS
54965-24-1
Multi CAS
Yes
Molecular Formula
C32H37NO8
Molecular Weight
563.600000
Exact Mass
563.251917
InChI
InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
FQZYTYWMLGAPFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
4
Molar refractivity
156.67
TPSA
144.6
LogP / Solubility
WLOGP
4.75
MLOGP
4.22
XLogP3
4.75
Consensus LogP
4.57
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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