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CAS 52-76-6 Lynestrenol molecular structure lightbox
CAS RN: 52-76-6

Lynestrenol

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250531 1g Out of stock Inquiry
Batchno.20251202 250mg Out of stock Inquiry
  • Product code: ICTL0246
  • Purity/Analytical Methods: >98.0%(HPLC)
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52-76-6 / (8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

Standard CAS: 52-76-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
52-76-6
Multi CAS
Yes
Molecular Formula
C20H28O
Molecular Weight
284.400000
Exact Mass
284.214016
InChI
InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChIKey
YNVGQYHLRCDXFQ-XGXHKTLJSA-N

Physical Properties

Melting Point
158-160 °C
Appearance
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
85.49
TPSA
20.23

LogP / Solubility

WLOGP
4.31
MLOGP
3.81
XLogP3
4.5
Consensus LogP
4.21
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39

Drug-likeness / Medicinal Chemistry

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

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