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 | Shenzhen | Inquiry |
211495-41-9 / 1-cyclopropyl-3-phenylmethoxybenzene
Basic Information
CAS
211495-41-9
Multi CAS
No
Molecular Formula
C16H16O
Molecular Weight
224.300000
Exact Mass
224.120115
SMILES
C1CC1C2=CC(=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C16H16O/c1-2-5-13(6-3-1)12-17-16-8-4-7-15(11-16)14-9-10-14/h1-8,11,14H,9-10,12H2
InChIKey
RSGJXCRPBQHQLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
69.19
TPSA
9.23
LogP / Solubility
WLOGP
4.14
MLOGP
3.65
XLogP3
4.3
Consensus LogP
4.03
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
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
No
Log Kp (skin permeation)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
2-(2-HYDROXY-1-METHYLETHYL)-1H-ISOINDOLE-1,3(2H)-DIONE
- CAS RN: 211501-36-9
- Product Code: starshine_CAS211501-36-9
- Purity/Analytical method: >99.0%
-
BETA-AMANITIN
- CAS RN: 21150-22-1
- Product Code: starshine_CAS21150-22-1
- Purity/Analytical method: >99.0%
