CAS RN: 874460-08-9
4-(4-Methoxybenzylcarbamoyl)phenylboronic 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.20250605 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS874460-08-9
- Purity/Analytical Methods: >99.0%
874460-08-9 / [4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid
Basic Information
CAS
874460-08-9
Multi CAS
No
Molecular Formula
BC15H16NO4
Molecular Weight
285.100000
Exact Mass
285.117238
InChI
InChI=1S/C15H16BNO4/c1-21-14-8-2-11(3-9-14)10-17-15(18)12-4-6-13(7-5-12)16(19)20/h2-9,19-20H,10H2,1H3,(H,17,18)
InChIKey
RJZAHNYXFDPDHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
80.43
TPSA
78.79
LogP / Solubility
WLOGP
0.3
MLOGP
0.28
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.24
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
-
-
tert-Butyl [5-(hydroxymethyl)pyrazin-2-yl]carbamate
- CAS RN: 874476-55-8
- Product Code: SSC-197426
-
(25RS)-Ruscogenin
- CAS RN: 874485-32-2
- Product Code: starshine_CAS874485-32-2
- Purity/Analytical method: >99.0%
-
Ethyl (6-oxopyridazin-1(6H)-yl)acetate
- CAS RN: 874491-58-4
- Product Code: starshine_CAS874491-58-4
- Purity/Analytical method: >99.0%
-
-
6-(2-methoxyethoxy)pyridin-3-amine
- CAS RN: 874491-83-5
- Product Code: starshine_CAS874491-83-5
- Purity/Analytical method: >99.0%
![CAS 874476-55-8 tert-Butyl [5-(hydroxymethyl)pyrazin-2-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874476-55-8.gif)
