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CAS 1200434-84-9 4-(1-PIPERIDINYLMETHYL)PHENYLBORONIC ACID molecular structure lightbox
CAS RN: 1200434-84-9

4-(1-PIPERIDINYLMETHYL)PHENYLBORONIC ACID

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250811 1g Out of stock Inquiry
Batchno.20250224 250mg Out of stock Inquiry
  • Product code: SSC-020840
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1200434-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1200434-84-9 / [4-(piperidin-1-ylmethyl)phenyl]boronic acid

4-(1-Piperidylmethyl)phenylboronic Acid | 4-(PIPERIDIN-1-YLMETHYL)PHENYLBORONIC ACID | 4-(1-PIPERIDINYLMETHYL)PHENYLBORONIC ACID

Standard CAS: 1200434-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1200434-84-9
Multi CAS
No
Molecular Formula
C12H18BNO2
Molecular Weight
219.090000
Exact Mass
219.143059
SMILES
B(C1=CC=C(C=C1)CN2CCCCC2)(O)O
InChI
InChI=1S/C12H18BNO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7,15-16H,1-3,8-10H2
InChIKey
JCTKDFLQUWSRMC-UHFFFAOYSA-N
Synonyms
4-(1-Piperidylmethyl)phenylboronic Acid 4-(PIPERIDIN-1-YLMETHYL)PHENYLBORONIC ACID 4-(1-PIPERIDINYLMETHYL)PHENYLBORONIC ACID MFCD06801706 [4-(piperidin-1-ylmethyl)phenyl]boronic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.4
TPSA
43.7

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
XLogP3
0.35
Consensus LogP
0.34
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.81

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
1.5

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