CAS RN: 295803-03-1
Gynuramide II
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250103 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS295803-03-1
- Purity/Analytical Methods: >99.0%
295803-03-1 / (2R)-2-hydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxyoctadec-8-en-2-yl]tetracosanamide
Basic Information
CAS
295803-03-1
Multi CAS
Yes
Molecular Formula
C42H83NO5
Molecular Weight
682.100000
Exact Mass
681.627125
InChI
InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,38-41,44-47H,3-26,28,30-37H2,1-2H3,(H,43,48)/b29-27+/t38-,39+,40+,41-/m0/s1
InChIKey
BIVGPKIBTGZJJH-BMAQVQEHSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Fraction Csp3
0.93
Rotatable bonds
38
H-bond acceptors
5
H-bond donors
5
Molar refractivity
205.27
TPSA
110.02
LogP / Solubility
WLOGP
10.63
MLOGP
9.41
XLogP3
14.9
Consensus LogP
11.65
Log S (ESOL)
-8.26
Class (ESOL)
Insoluble
Log S (Ali)
-12.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.66
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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