CAS RN: 936727-93-4
1-(4-(trifluoromethoxy)phenyl)cyclopropanecarboxylic acid
- Product code: SSC-208045
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
936727-93-4 / 1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
Basic Information
CAS
936727-93-4
Multi CAS
Yes
Molecular Formula
C11F3H9O3
Molecular Weight
246.180000
Exact Mass
246.050379
InChI
InChI=1S/C11H9F3O3/c12-11(13,14)17-8-3-1-7(2-4-8)10(5-6-10)9(15)16/h1-4H,5-6H2,(H,15,16)
InChIKey
WLYQHMMKMYCFAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.67
TPSA
46.53
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.9
Consensus LogP
2.66
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-(Quinolin-6-yl)cyclopropanecarboxylicacid
- CAS RN: 936728-00-6
- Product Code: starshine_CAS936728-00-6
- Purity/Analytical method: >99.0%
-
1-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
- CAS RN: 936728-02-8
- Product Code: SSC-208046
-
3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- CAS RN: 936728-20-0
- Product Code: SSC-208047
-
2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- CAS RN: 936728-23-3
- Product Code: starshine_CAS936728-23-3
- Purity/Analytical method: >99.0%
-
Cyclo(his-pro) (TFA)
- CAS RN: 936749-56-3
- Product Code: starshine_CAS936749-56-3
- Purity/Analytical method: >99.0%
-
