CAS RN: 38968-07-9
2′-O-methylperlatolic acid
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.20250506 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS38968-07-9
- Purity/Analytical Methods: >99.0%
38968-07-9 / 4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid
Basic Information
CAS
38968-07-9
Multi CAS
No
Molecular Formula
C26H34O7
Molecular Weight
458.500000
Exact Mass
458.230453
InChI
InChI=1S/C26H34O7/c1-5-7-9-11-17-13-19(31-3)15-21(27)23(17)26(30)33-20-14-18(12-10-8-6-2)24(25(28)29)22(16-20)32-4/h13-16,27H,5-12H2,1-4H3,(H,28,29)
InChIKey
BSTCIRYEMDTNQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
2
Molar refractivity
126.03
TPSA
102.29
LogP / Solubility
WLOGP
5.79
MLOGP
5.13
XLogP3
7.8
Consensus LogP
6.24
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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