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CAS 852839-94-2 3-amino-4-chloro-N-(2-furylmethyl)benzamide molecular structure lightbox
CAS RN: 852839-94-2

3-amino-4-chloro-N-(2-furylmethyl)benzamide

  • Product code: SSC-193607
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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: 2
  • 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 852839-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

852839-94-2 / 3-amino-4-chloro-N-(furan-2-ylmethyl)benzamide

Standard CAS: 852839-94-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
852839-94-2
Multi CAS
No
Molecular Formula
C12H11CLN2O2
Molecular Weight
250.680000
Exact Mass
250.050905
InChI
InChI=1S/C12H11ClN2O2/c13-10-4-3-8(6-11(10)14)12(16)15-7-9-2-1-5-17-9/h1-6H,7,14H2,(H,15,16)
InChIKey
RPJRPRMXOSCORN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.74
TPSA
68.26

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
1.7
Consensus LogP
2.1
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

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

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