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CAS 374559-48-5 PST2744 (hydrochloride) molecular structure lightbox
CAS RN: 374559-48-5

PST2744 (hydrochloride)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250806 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS374559-48-5
  • Purity/Analytical Methods: >99.0%
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374559-48-5 / (5S,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione;hydrochloride

Standard CAS: 374559-48-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
374559-48-5
Multi CAS
Yes
Molecular Formula
C21H33CLN2O3
Molecular Weight
396.900000
Exact Mass
396.217971
InChI
InChI=1S/C21H32N2O3.ClH/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20;/h14-17H,3-12,22H2,1-2H3;1H/b23-13+;/t14-,15-,16-,17+,20+,21-;/m0./s1
InChIKey
AXHJYJDJXNOGNI-ROJIRLEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
106.81
TPSA
81.75

LogP / Solubility

WLOGP
3.53
MLOGP
3.13
XLogP3
3.53
Consensus LogP
3.4
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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