CAS RN: 480-54-6
RETRORSINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250530 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS480-54-6
- Purity/Analytical Methods: >99.0%
480-54-6 / (1R,6R,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Basic Information
CAS
480-54-6
Multi CAS
Yes
Molecular Formula
C18H25NO6
Molecular Weight
351.400000
Exact Mass
351.168188
InChI
InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15-,18-/m1/s1
InChIKey
BCJMNZRQJAVDLD-XKLVTHTNSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
2
Molar refractivity
88.47
TPSA
96.3
LogP / Solubility
WLOGP
0.17
MLOGP
0.16
XLogP3
0.6
Consensus LogP
0.31
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-4.75
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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