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CAS 74243-01-9 7-ACETYLLYCOPSAMINE molecular structure lightbox
CAS RN: 74243-01-9

7-ACETYLLYCOPSAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS74243-01-9
  • Purity/Analytical Methods: >99.0%
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74243-01-9 / (7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate

Standard CAS: 74243-01-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74243-01-9
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
InChIKey
RKDOFSJTBIDAHX-UHFFFAOYSA-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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