CAS RN: 36062-07-4
(3S,5S)-1,7-BIS(4-HYDROXY-3-METHOXYPHENYL)HEPTANE-3,5-DIOL
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250323 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251217 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250207 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251007 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250528 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS36062-07-4
- Purity/Analytical Methods: >99.0%
36062-07-4 / 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
Basic Information
CAS
36062-07-4
Multi CAS
Yes
Molecular Formula
C21H28O6
Molecular Weight
376.400000
Exact Mass
376.188589
InChI
InChI=1S/C21H28O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3
InChIKey
OELMAFBLFOKZJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
102.59
TPSA
99.38
LogP / Solubility
WLOGP
2.79
MLOGP
2.48
XLogP3
3.2
Consensus LogP
2.82
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble
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
Yes
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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