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CAS 42823-15-4 1-(2,6-DICHLOROPHENYL)BIGUANIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 42823-15-4

1-(2,6-DICHLOROPHENYL)BIGUANIDE HYDROCHLORIDE

  • Product code: SSC-151093
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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, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 42823-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 2 In Stock Beijing Inquiry
0.25g ≥97% 2 In Stock Hong Kong Inquiry
1g ≥97% 2 In Stock Beijing Inquiry
5g ≥97% 2 In Stock Shanghai Inquiry

42823-15-4 / 1-(diaminomethylidene)-2-(2,6-dichlorophenyl)guanidine

Standard CAS: 42823-15-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42823-15-4
Multi CAS
Yes
Molecular Formula
C8H9CL2N5
Molecular Weight
246.090000
Exact Mass
245.023501
InChI
InChI=1S/C8H9Cl2N5/c9-4-2-1-3-5(10)6(4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
InChIKey
PZXIBLJRRIQYKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
3
Molar refractivity
63.55
TPSA
102.78

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
1.1
Consensus LogP
1.13
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.36

Drug-likeness / Medicinal Chemistry

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

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