![CAS 1187188-59-5 Benzamide, 4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187188-59-5.gif)
CAS RN: 1187188-59-5
Benzamide, 4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]-
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.20250209 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1187188-59-5
- Purity/Analytical Methods: >99.0%
1187188-59-5 / 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzamide
Crisaborole amide impurity | QK37AK685X | Crisaborole Impurity 8
Basic Information
CAS
1187188-59-5
Multi CAS
No
Molecular Formula
C14H12BNO4
Molecular Weight
269.060000
Exact Mass
269.085938
SMILES
B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C(=O)N)O
InChI
InChI=1S/C14H12BNO4/c16-14(17)9-1-3-11(4-2-9)20-12-5-6-13-10(7-12)8-19-15(13)18/h1-7,18H,8H2,(H2,16,17)
InChIKey
BNNSMPLZLMPJQX-UHFFFAOYSA-N
Synonyms
Crisaborole amide impurity
QK37AK685X
Crisaborole Impurity 8
UNII-QK37AK685X
4-((1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy)benzamide
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.87
TPSA
81.78
LogP / Solubility
WLOGP
0.8
MLOGP
0.71
XLogP3
0.8
Consensus LogP
0.77
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
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
1.5
Customers Also Viewed
-
-
-
-
5-NITRO-6-(TRIFLUOROMETHYL)-1H-INDAZOLE
- CAS RN: 1187211-61-5
- Product Code: starshine_CAS1187211-61-5
- Purity/Analytical method: >99.0%
-
4-(3-chlorophenylamino)-7-methoxyquinazolin-6-yl acetate
- CAS RN: 1187223-25-1
- Product Code: starshine_CAS1187223-25-1
- Purity/Analytical method: >99.0%
-
Cyclohexaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, trans-(αS)-
- CAS RN: 1187224-06-1
- Product Code: SSC-018652
![CAS 1187190-70-0 benzo[c][1,2]oxaborole-1,5(3H)-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187190-70-0.gif)
![CAS 1187224-06-1 Cyclohexaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, trans-(αS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187224-06-1.gif)