CAS RN: 1704069-22-6
(3-((4-(trifluoroMethoxy)phenyl)carbaMoyl)phenyl)boronic acid
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.20260322 | 500mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1704069-22-6
- Purity/Analytical Methods: >99.0%
1704069-22-6 / [3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]boronic acid
Basic Information
CAS
1704069-22-6
Multi CAS
No
Molecular Formula
C14H11BF3NO4
Molecular Weight
325.050000
Exact Mass
325.073323
SMILES
B(C1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)(O)O
InChI
InChI=1S/C14H11BF3NO4/c16-14(17,18)23-12-6-4-11(5-7-12)19-13(20)9-2-1-3-10(8-9)15(21)22/h1-8,21-22H,(H,19,20)
InChIKey
ALZWEVQTVBFWQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
77.35
TPSA
78.79
LogP / Solubility
WLOGP
1.52
MLOGP
1.35
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
(3-(N,N-diethylsulfaMoyl)-4-(trifluoroMethoxy)phenyl)boronic acid
- CAS RN: 1704069-29-3
- Product Code: starshine_CAS1704069-29-3
- Purity/Analytical method: >99.0%
-
(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-5-(trifluoroMethyl)phenyl)boronic acid
- CAS RN: 1704069-33-9
- Product Code: SSC-074966
-
2,2,2-trifluoroacetic acid coMpound with (4-(1-(piperazin-1-yl)ethyl)phenyl)boronic acid (1:1)
- CAS RN: 1704069-49-7
- Product Code: starshine_CAS1704069-49-7
- Purity/Analytical method: >99.0%
-
-
(3-((3-Methoxyphenyl)carbaMoyl)phenyl)boronic acid
- CAS RN: 1704069-57-7
- Product Code: starshine_CAS1704069-57-7
- Purity/Analytical method: >99.0%
-
(4-(1-(4-Methylpiperazin-1-yl)ethyl)phenyl)boronic acid
- CAS RN: 1704069-65-7
- Product Code: starshine_CAS1704069-65-7
- Purity/Analytical method: >99.0%
