CAS RN: 146918-26-5
Bisdemethoxyboehmenan
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.20250312 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS146918-26-5
- Purity/Analytical Methods: >99.0%
146918-26-5 / 3-[2-(4-hydroxy-3-methoxyphenyl)-3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Basic Information
CAS
146918-26-5
Multi CAS
No
Molecular Formula
C38H36O10
Molecular Weight
652.700000
Exact Mass
652.230847
SMILES
COC1=CC(=CC2=C1OC(C2COC(=O)/C=C/C3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)CCCOC(=O)/C=C/C5=CC=C(C=C5)O
InChI
InChI=1S/C38H36O10/c1-44-33-22-27(11-16-32(33)41)37-31(23-47-36(43)18-10-25-7-14-29(40)15-8-25)30-20-26(21-34(45-2)38(30)48-37)4-3-19-46-35(42)17-9-24-5-12-28(39)13-6-24/h5-18,20-22,31,37,39-41H,3-4,19,23H2,1-2H3/b17-9+,18-10+
InChIKey
UYFZAVXVCOVJER-BEQMOXJMSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
24
Fraction Csp3
0.21
Rotatable bonds
13
H-bond acceptors
10
H-bond donors
3
Molar refractivity
178.28
TPSA
140.98
LogP / Solubility
WLOGP
6.48
MLOGP
5.76
XLogP3
6.7
Consensus LogP
6.31
Log S (ESOL)
-7.48
Class (ESOL)
Insoluble
Log S (Ali)
-9.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.1
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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- Product Code: starshine_CAS146943-75-1
- Purity/Analytical method: >99.0%
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