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CAS 1187929-09-4 2-CHLORO-4-METHYL-BENZAMIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1187929-09-4

2-CHLORO-4-METHYL-BENZAMIDINE HYDROCHLORIDE

  • Product code: SSC-018809
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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 1187929-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1187929-09-4 / 2-chloro-4-methylbenzenecarboximidamide;hydrochloride

2-CHLORO-4-METHYL-BENZAMIDINE HYDROCHLORIDE | 2-CHLORO-4-METHYLBENZIMIDAMIDE HYDROCHLORIDE | MFCD04114419

Standard CAS: 1187929-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187929-09-4
Multi CAS
No
Molecular Formula
C8H10Cl2N2
Molecular Weight
205.080000
Exact Mass
204.022104
SMILES
CC1=CC(=C(C=C1)C(=N)N)Cl.Cl
InChI
InChI=1S/C8H9ClN2.ClH/c1-5-2-3-6(8(10)11)7(9)4-5;/h2-4H,1H3,(H3,10,11);1H
InChIKey
VGVALSFJBNAGJZ-UHFFFAOYSA-N
Synonyms
2-CHLORO-4-METHYL-BENZAMIDINE HYDROCHLORIDE 2-CHLORO-4-METHYLBENZIMIDAMIDE HYDROCHLORIDE MFCD04114419 2-chloro-4-methylbenzenecarboximidamide;hydrochloride AB18279

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
54.45
TPSA
49.87

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.35
Consensus LogP
2.26
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.3

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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