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CAS 15917-65-4 N-Desmethyl Tamoxifen Hydrochloride molecular structure lightbox
CAS RN: 15917-65-4

N-Desmethyl Tamoxifen Hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS15917-65-4
  • Purity/Analytical Methods: >99.0%
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15917-65-4 / 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine;hydrochloride

Standard CAS: 15917-65-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15917-65-4
Multi CAS
No
Molecular Formula
C25H28ClNO
Molecular Weight
393.900000
Exact Mass
393.185942
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3.Cl
InChI
InChI=1S/C25H27NO.ClH/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2;/h4-17,26H,3,18-19H2,1-2H3;1H/b25-24-;
InChIKey
GMLHJWZEYLTNJW-BJFQDICYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
122.2
TPSA
21.26

LogP / Solubility

WLOGP
6.08
MLOGP
5.37
XLogP3
6.08
Consensus LogP
5.84
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H350 (97.5%): May cause cancer [Danger Carcinogenicity] H360 (97.5%): May damage fertility or the unborn child [Danger Reproductive toxicity] H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (97.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501

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