CAS RN: 1003028-43-0
4-(3-(4-Methylpiperazin-1-yl)propoxy)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.20250704 | 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1003028-43-0
- Purity/Analytical Methods: >99.0%
1003028-43-0 / [4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]boronic acid
4-(3-(4-methylpiperazin-1-yl)propoxy)phenylboronic acid | (4-(3-(4-methylpiperazin-1-yl)propoxy)phenyl)boronic acid | [4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]boronic acid
Basic Information
CAS
1003028-43-0
Multi CAS
Yes
Molecular Formula
C14H23BN2O3
Molecular Weight
278.160000
Exact Mass
278.180173
SMILES
B(C1=CC=C(C=C1)OCCCN2CCN(CC2)C)(O)O
InChI
InChI=1S/C14H23BN2O3/c1-16-8-10-17(11-9-16)7-2-12-20-14-5-3-13(4-6-14)15(18)19/h3-6,18-19H,2,7-12H2,1H3
InChIKey
PZCJFUYHXMZFPN-UHFFFAOYSA-N
Synonyms
4-(3-(4-methylpiperazin-1-yl)propoxy)phenylboronic acid
(4-(3-(4-methylpiperazin-1-yl)propoxy)phenyl)boronic acid
[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]boronic acid
{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}boronic acid
starbld0017328
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
80.32
TPSA
56.17
LogP / Solubility
WLOGP
-0.62
MLOGP
-0.53
XLogP3
-0.62
Consensus LogP
-0.59
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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(4-(4-ISOPROPYLPIPERAZIN-1-YL)PHENYL)BORONIC ACID
- CAS RN: 1003043-01-3
- Product Code: starshine_CAS1003043-01-3
- Purity/Analytical method: >99.0%
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