CAS RN: 1146113-27-0
Moracin T
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250130 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146113-27-0
- Purity/Analytical Methods: >99.0%
1146113-27-0 / 5-[6-hydroxy-5-methoxy-4-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol
Moracin T | 5-[6-hydroxy-5-methoxy-4-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol | 5-(6-hydroxy-5-methoxy-4-(3-methylbut-2-enyl)-1-benzofuran-2-yl)benzene-1,3-diol
Basic Information
CAS
1146113-27-0
Multi CAS
No
Molecular Formula
C20H20O5
Molecular Weight
340.400000
Exact Mass
340.131074
SMILES
CC(=CCC1=C(C(=CC2=C1C=C(O2)C3=CC(=CC(=C3)O)O)O)OC)C
InChI
InChI=1S/C20H20O5/c1-11(2)4-5-15-16-9-18(12-6-13(21)8-14(22)7-12)25-19(16)10-17(23)20(15)24-3/h4,6-10,21-23H,5H2,1-3H3
InChIKey
BILBQNGVYFSUOZ-UHFFFAOYSA-N
Synonyms
Moracin T
5-[6-hydroxy-5-methoxy-4-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol
5-(6-hydroxy-5-methoxy-4-(3-methylbut-2-enyl)-1-benzofuran-2-yl)benzene-1,3-diol
RefChem:159690
826-028-0
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
96.33
TPSA
83.06
LogP / Solubility
WLOGP
4.73
MLOGP
4.18
XLogP3
4.8
Consensus LogP
4.57
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
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
2.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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