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CAS 1446-27-1 PYRIMIDINE-5-BORONIC ACID molecular structure lightbox
CAS RN: 1446-27-1

PYRIMIDINE-5-BORONIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250702 1g In stock Inquiry
Batchno.20250930 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251111 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250322 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-055813
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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: 5g, 1g, 10g, 0.25g
  • 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 1446-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Beijing Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry

1446-27-1 / 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;hydrochloride

Standard CAS: 1446-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1446-27-1
Multi CAS
No
Molecular Formula
C9H12ClNO2
Molecular Weight
201.650000
Exact Mass
201.055656
SMILES
C1C(OC2=CC=CC=C2O1)CN.Cl
InChI
InChI=1S/C9H11NO2.ClH/c10-5-7-6-11-8-3-1-2-4-9(8)12-7;/h1-4,7H,5-6,10H2;1H
InChIKey
QIPSWJFYYUTYHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.66
TPSA
44.48

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
1.21
Consensus LogP
1.16
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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