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CAS 73544-48-6 7-acetyllycopsamine molecular structure lightbox
CAS RN: 73544-48-6

7-acetyllycopsamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260120 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS73544-48-6
  • Purity/Analytical Methods: >99.0%
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73544-48-6 / [(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

Standard CAS: 73544-48-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73544-48-6
Multi CAS
Yes
Molecular Formula
C17H27NO6
Molecular Weight
341.400000
Exact Mass
341.183838
InChI
InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11-,14+,15+,17-/m0/s1
InChIKey
RKDOFSJTBIDAHX-OFSOMGBPSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.76
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
86.04
TPSA
96.3

LogP / Solubility

WLOGP
0.24
MLOGP
0.23
XLogP3
0.1
Consensus LogP
0.19
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-4.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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