CAS RN: 37126-91-3
Murrangatin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260701 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS37126-91-3
- Purity/Analytical Methods: >99.0%
37126-91-3 / 8-[(1R,2R)-1,2-dihydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
Basic Information
CAS
37126-91-3
Multi CAS
Yes
Molecular Formula
C15H16O5
Molecular Weight
276.280000
Exact Mass
276.099774
InChI
InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-7,13-14,17-18H,1H2,2-3H3/t13-,14+/m1/s1
InChIKey
DKEANOQWICTXTP-KGLIPLIRSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.82
TPSA
79.9
LogP / Solubility
WLOGP
1.77
MLOGP
1.57
XLogP3
1.6
Consensus LogP
1.65
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
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
2.5
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