![CAS 40718-14-7 BenzenaMine, 3-chloro-4-[3-(trifluoroMethyl)phenoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40718-14-7.gif)
CAS RN: 40718-14-7
BenzenaMine, 3-chloro-4-[3-(trifluoroMethyl)phenoxy]-
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.20251118 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-149052
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
40718-14-7 / 3-chloro-4-[3-(trifluoromethyl)phenoxy]aniline
Basic Information
CAS
40718-14-7
Multi CAS
No
Molecular Formula
C13H9CLF3NO
Molecular Weight
287.660000
Exact Mass
287.032476
InChI
InChI=1S/C13H9ClF3NO/c14-11-7-9(18)4-5-12(11)19-10-3-1-2-8(6-10)13(15,16)17/h1-7H,18H2
InChIKey
WTPFYPUXUHYGIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.38
TPSA
35.25
LogP / Solubility
WLOGP
4.73
MLOGP
4.18
XLogP3
4.3
Consensus LogP
4.4
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
H-LYS-GLY-OH HCL
- CAS RN: 40719-58-2
- Product Code: starshine_CAS40719-58-2
- Purity/Analytical method: >99.0%
-
5-[(1S,2S,5R)-3,3,7-trioxo-3,lambda6-thia-6,8-diazabicyclo[3.3.0]oct-2-yl]pentanoic acid
- CAS RN: 40720-05-6
- Product Code: starshine_CAS40720-05-6
- Purity/Analytical method: >99.0%
-
2,3-Anthracenedicarbonitrile
- CAS RN: 40723-91-9
- Product Code: starshine_CAS40723-91-9
- Purity/Analytical method: >99.0%
-
-
3′-Deoxytubercidin
- CAS RN: 40725-89-1
- Product Code: starshine_CAS40725-89-1
- Purity/Analytical method: >99.0%
-
1,3-DIHYDRO-ALPHA-HYDROXY-1,3-DIOXO-2H-ISOINDOLE-2-BUTANOIC ACID
- CAS RN: 40732-91-0
- Product Code: SSC-149061
![CAS 40720-05-6 5-[(1S,2S,5R)-3,3,7-trioxo-3,lambda6-thia-6,8-diazabicyclo[3.3.0]oct-2-yl]pentanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40720-05-6.gif)
