![CAS 1187186-52-2 4-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]-2-methoxy-benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187186-52-2.gif)
CAS RN: 1187186-52-2
4-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]-2-methoxy-benzonitrile
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.20251023 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1187186-52-2
- Purity/Analytical Methods: >99.0%
1187186-52-2 / 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]-2-methoxybenzonitrile
SCHEMBL2528137 | SAYUINYVYDTLQH-UHFFFAOYSA-N | 5-(4-cyano-3-methoxyphenoxy)-1,3-dihydro-1-hydroxy-2,1-benzoxaborole
Basic Information
CAS
1187186-52-2
Multi CAS
No
Molecular Formula
C15H12BNO4
Molecular Weight
281.070000
Exact Mass
281.085938
SMILES
B1(C2=C(CO1)C=C(C=C2)OC3=CC(=C(C=C3)C#N)OC)O
InChI
InChI=1S/C15H12BNO4/c1-19-15-7-13(3-2-10(15)8-17)21-12-4-5-14-11(6-12)9-20-16(14)18/h2-7,18H,9H2,1H3
InChIKey
SAYUINYVYDTLQH-UHFFFAOYSA-N
Synonyms
SCHEMBL2528137
SAYUINYVYDTLQH-UHFFFAOYSA-N
5-(4-cyano-3-methoxyphenoxy)-1,3-dihydro-1-hydroxy-2,1-benzoxaborole
4-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)-2-methoxybenzonitrile
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.62
TPSA
71.71
LogP / Solubility
WLOGP
1.58
MLOGP
1.4
XLogP3
1.58
Consensus LogP
1.52
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-3.31
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
-
![CAS 1187188-59-5 Benzamide, 4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Benzamide, 4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]-
- CAS RN: 1187188-59-5
- Product Code: starshine_CAS1187188-59-5
- Purity/Analytical method: >99.0%
-
-
-
-
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%
![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 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)
