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CAS 1876473-42-5 6,7-dihydro-5H-pyrrolo[1,2-a]iMidazol-3-ylboronic acid molecular structure lightbox
CAS RN: 1876473-42-5

6,7-dihydro-5H-pyrrolo[1,2-a]iMidazol-3-ylboronic acid

  • Product code: SSC-087214
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 1876473-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shanghai Inquiry

1876473-42-5 / 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylboronic acid

Standard CAS: 1876473-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1876473-42-5
Multi CAS
No
Molecular Formula
C6H9BN2O2
Molecular Weight
151.960000
Exact Mass
152.075708
SMILES
B(C1=CN=C2N1CCC2)(O)O
InChI
InChI=1S/C6H9BN2O2/c10-7(11)5-4-8-6-2-1-3-9(5)6/h4,10-11H,1-3H2
InChIKey
BMBFFHUQGZQFKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.37
TPSA
58.28

LogP / Solubility

WLOGP
-1.49
MLOGP
-1.32
XLogP3
-1.49
Consensus LogP
-1.43
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
0.27
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.47
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.71

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

Applications of CAS 1876473-42-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1876473-42-5 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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