![CAS 874290-93-4 4-[(DIMETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-DIMETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874290-93-4.gif)
CAS RN: 874290-93-4
4-[(DIMETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-DIMETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
- Product code: SSC-197389
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
874290-93-4 / 1,1-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Basic Information
CAS
874290-93-4
Multi CAS
Yes
Molecular Formula
BC15H23N2O3
Molecular Weight
290.170000
Exact Mass
290.180173
InChI
InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)11-7-9-12(10-8-11)17-13(19)18(5)6/h7-10H,1-6H3,(H,17,19)
InChIKey
WFCXDAQSTGDHCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.86
TPSA
50.8
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
2.08
Consensus LogP
2
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
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 874290-95-6 4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97 molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97
- CAS RN: 874290-95-6
- Product Code: SSC-197390
-
4-(MORPHOLINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER
- CAS RN: 874290-97-8
- Product Code: starshine_CAS874290-97-8
- Purity/Analytical method: >99.0%
-
4-[(BENZYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-BENZYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
- CAS RN: 874290-98-9
- Product Code: starshine_CAS874290-98-9
- Purity/Analytical method: >99.0%
-
4-[(METHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-METHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
- CAS RN: 874290-99-0
- Product Code: SSC-197391
-
4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
- CAS RN: 874291-00-6
- Product Code: SSC-197392
-
1-PROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA
- CAS RN: 874291-01-7
- Product Code: SSC-197393
![CAS 874290-95-6 4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874290-95-6.gif)
![CAS 874290-98-9 4-[(BENZYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-BENZYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874290-98-9.gif)
![CAS 874290-99-0 4-[(METHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-METHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874290-99-0.gif)
![CAS 874291-00-6 4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874291-00-6.gif)
![CAS 874291-01-7 1-PROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874291-01-7.gif)