Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
7384-42-1 / 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
Basic Information
CAS
7384-42-1
Multi CAS
No
Molecular Formula
C11H18O2
Molecular Weight
182.260000
Exact Mass
182.130680
InChI
InChI=1S/C11H18O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2,(H,12,13)
InChIKey
MLYJAHYIPOXSRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.42
TPSA
37.3
LogP / Solubility
WLOGP
2.68
MLOGP
2.35
XLogP3
3.4
Consensus LogP
2.81
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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