CAS RN: 1704096-84-3
(4-(1-(4-hydroxypiperidin-1-yl)ethyl)phenyl)boronic 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.20250404 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1704096-84-3
- Purity/Analytical Methods: >99.0%
1704096-84-3 / [4-[1-(4-hydroxypiperidin-1-yl)ethyl]phenyl]boronic acid
Basic Information
CAS
1704096-84-3
Multi CAS
No
Molecular Formula
C13H20BNO3
Molecular Weight
249.120000
Exact Mass
249.153624
SMILES
B(C1=CC=C(C=C1)C(C)N2CCC(CC2)O)(O)O
InChI
InChI=1S/C13H20BNO3/c1-10(15-8-6-13(16)7-9-15)11-2-4-12(5-3-11)14(17)18/h2-5,10,13,16-18H,6-9H2,1H3
InChIKey
ZCSPNOXEDFIRNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
71.5
TPSA
63.93
LogP / Solubility
WLOGP
-0.12
MLOGP
-0.1
XLogP3
-0.12
Consensus LogP
-0.11
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-4.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(3-chloro-4-(3-(cyclopropylaMino)propoxy)phenyl)boronic acid
- CAS RN: 1704096-89-8
- Product Code: starshine_CAS1704096-89-8
- Purity/Analytical method: >99.0%
-
(4-(N,N-diMethylsulfaMoyl)naphthalen-1-yl)boronic acid
- CAS RN: 1704097-52-8
- Product Code: starshine_CAS1704097-52-8
- Purity/Analytical method: >99.0%
-
(3-fluoro-4-((4-Methylpiperidin-1-yl)sulfonyl)phenyl)boronic acid
- CAS RN: 1704120-89-7
- Product Code: starshine_CAS1704120-89-7
- Purity/Analytical method: >99.0%
-
(4-((4-methylpiperidin-1-yl)sulfonyl)naphthalen-1-yl)boronic acid
- CAS RN: 1704121-04-9
- Product Code: starshine_CAS1704121-04-9
- Purity/Analytical method: >99.0%
-
(4-((4-ethylpiperazin-1-yl)sulfonyl)naphthalen-1-yl)boronic acid
- CAS RN: 1704121-11-8
- Product Code: starshine_CAS1704121-11-8
- Purity/Analytical method: >99.0%
-
5-chloro-6-(pyrrolidin-1-yl)pyridin-3-ylboronic acid
- CAS RN: 1704121-31-2
- Product Code: SSC-074984
