CAS RN: 462636-74-4
Gnemonol B
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.20250110 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS462636-74-4
- Purity/Analytical Methods: >99.0%
462636-74-4 / 5-[(2S,3S)-4-hydroxy-6-[(2S,3S)-4-hydroxy-6-[(2S,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Basic Information
CAS
462636-74-4
Multi CAS
Yes
Molecular Formula
C56H42O12
Molecular Weight
906.900000
Exact Mass
906.267627
InChI
InChI=1S/C56H42O12/c57-36-11-3-28(4-12-36)1-2-29-19-42(63)51-45(20-29)66-55(31-7-15-38(59)16-8-31)49(51)34-23-44(65)53-47(25-34)68-56(32-9-17-39(60)18-10-32)50(53)35-24-43(64)52-46(26-35)67-54(30-5-13-37(58)14-6-30)48(52)33-21-40(61)27-41(62)22-33/h1-27,48-50,54-65H/b2-1+/t48-,49-,50-,54+,55+,56+/m0/s1
InChIKey
ZVULRZLKHBBDMD-UXGYSEAKSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Aromatic heavy atom count
48
Fraction Csp3
0.11
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
9
Molar refractivity
251.08
TPSA
209.76
LogP / Solubility
WLOGP
11
MLOGP
9.77
XLogP3
10
Consensus LogP
10.26
Log S (ESOL)
-12.39
Class (ESOL)
Insoluble
Log S (Ali)
-14.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.65
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)
-0.44
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
10
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