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CAS 1187929-42-5 2,3,4-TRIFLUORO-BENZAMIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1187929-42-5

2,3,4-TRIFLUORO-BENZAMIDINE HYDROCHLORIDE

  • Product code: SSC-018816
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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 1187929-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1187929-42-5 / 2,3,4-trifluorobenzenecarboximidamide;hydrochloride

2,3,4-TRIFLUORO-BENZAMIDINE HYDROCHLORIDE | 2,3,4-TRIFLUOROBENZIMIDAMIDE HYDROCHLORIDE | 2,3,4-Trifluoro-benzamidinehydrochloride

Standard CAS: 1187929-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187929-42-5
Multi CAS
No
Molecular Formula
C7H6ClF3N2
Molecular Weight
210.580000
Exact Mass
210.017160
SMILES
C1=CC(=C(C(=C1C(=N)N)F)F)F.Cl
InChI
InChI=1S/C7H5F3N2.ClH/c8-4-2-1-3(7(11)12)5(9)6(4)10;/h1-2H,(H3,11,12);1H
InChIKey
YJHZFPXMNNUORH-UHFFFAOYSA-N
Synonyms
2,3,4-TRIFLUORO-BENZAMIDINE HYDROCHLORIDE 2,3,4-TRIFLUOROBENZIMIDAMIDE HYDROCHLORIDE 2,3,4-Trifluoro-benzamidinehydrochloride 2,3,4-trifluorobenzenecarboximidamide;hydrochloride MFCD04114451

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
44.58
TPSA
49.87

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.81
Consensus LogP
1.74
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-2.72

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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