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CAS 121219-12-3 4-Amylphenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 121219-12-3

4-Amylphenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260425 250mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-023001
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 25g, 10g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 121219-12-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
25g >97% 3 In Stock Shanghai Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

121219-12-3 / (4-pentylphenyl)boronic acid

(4-pentylphenyl)boronic Acid | DTXSID50404610 | RefChem:1050447

Standard CAS: 121219-12-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
121219-12-3
Multi CAS
Yes
Molecular Formula
C11H17BO2
Molecular Weight
192.060000
Exact Mass
192.132160
SMILES
B(C1=CC=C(C=C1)CCCCC)(O)O
InChI
InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3
InChIKey
UZRMPSOGFATLJE-UHFFFAOYSA-N
Synonyms
(4-pentylphenyl)boronic Acid DTXSID50404610 RefChem:1050447 DTXCID80355464 4-n-Pentylphenylboronic acid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.5
TPSA
40.46

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.42
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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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