CAS RN: 2141947-89-7
Crisaborole Impurity 5
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.20250803 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2141947-89-7
- Purity/Analytical Methods: >99.0%
2141947-89-7 / 4-[3-formyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]benzonitrile
Basic Information
CAS
2141947-89-7
Multi CAS
No
Molecular Formula
C20H20BNO4
Molecular Weight
349.200000
Exact Mass
349.148538
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OC3=CC=C(C=C3)C#N)C=O
InChI
InChI=1S/C20H20BNO4/c1-19(2)20(3,4)26-21(25-19)18-10-9-17(11-15(18)13-23)24-16-7-5-14(12-22)6-8-16/h5-11,13H,1-4H3
InChIKey
XTMDXEDJWWVAKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
98.78
TPSA
68.55
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
3.46
Consensus LogP
3.33
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
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
-
-
Regorafenib impurity H
- CAS RN: 2141961-84-2
- Product Code: starshine_CAS2141961-84-2
- Purity/Analytical method: >99.0%
-
RIPK2-IN-8
- CAS RN: 2141969-56-2
- Product Code: starshine_CAS2141969-56-2
- Purity/Analytical method: >99.0%
-
1,4-Benzenedicarboxylic acid, 2,5-bis(2-methylpropoxy)-, 1,4-dihydrazide
- CAS RN: 2141975-31-5
- Product Code: starshine_CAS2141975-31-5
- Purity/Analytical method: >99.0%
-
–
- CAS RN: 2141976-33-0
- Product Code: starshine_CAS2141976-33-0
- Purity/Analytical method: >99.0%
-
