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CAS 51597-76-3 3-chloro-N-(furan-2-ylmethyl)aniline molecular structure lightbox
CAS RN: 51597-76-3

3-chloro-N-(furan-2-ylmethyl)aniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250114 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-158524
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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: 5g
  • 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 51597-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

51597-76-3 / 3-chloro-N-(furan-2-ylmethyl)aniline

Standard CAS: 51597-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51597-76-3
Multi CAS
No
Molecular Formula
C11H10CLNO
Molecular Weight
207.650000
Exact Mass
207.045092
InChI
InChI=1S/C11H10ClNO/c12-9-3-1-4-10(7-9)13-8-11-5-2-6-14-11/h1-7,13H,8H2
InChIKey
FXAPHDXZEYAVIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.49
TPSA
25.17

LogP / Solubility

WLOGP
3.55
MLOGP
3.12
XLogP3
3.1
Consensus LogP
3.26
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47

Drug-likeness / Medicinal Chemistry

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

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