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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
90525-37-4 / 4-(4-heptylcyclohexyl)phenol
Basic Information
CAS
90525-37-4
Multi CAS
Yes
Molecular Formula
C19H30O
Molecular Weight
274.400000
Exact Mass
274.229666
InChI
InChI=1S/C19H30O/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h12-17,20H,2-11H2,1H3
InChIKey
LQNATOSZMJPGNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.18
TPSA
20.23
LogP / Solubility
WLOGP
6.03
MLOGP
5.31
XLogP3
7.6
Consensus LogP
6.31
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
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4-CYANO-3-FLUOROPHENYL TRANS-4-ETHYLCYCLOHEXANECARBOXYLATE
- CAS RN: 90525-56-7
- Product Code: starshine_CAS90525-56-7
- Purity/Analytical method: >99.0%
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