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CAS 138949-13-0 1-[3-CHLORO-5-(TRIFLUOROMETHYL)PYRID-2-YL]-1-METHYLHYDRAZINE molecular structure lightbox
CAS RN: 138949-13-0

1-[3-CHLORO-5-(TRIFLUOROMETHYL)PYRID-2-YL]-1-METHYLHYDRAZINE

  • Product code: SSC-049110
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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: 1g
  • 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 138949-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

138949-13-0 / 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine

Standard CAS: 138949-13-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
138949-13-0
Multi CAS
No
Molecular Formula
C7H7ClF3N3
Molecular Weight
225.600000
Exact Mass
225.028059
SMILES
CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N
InChI
InChI=1S/C7H7ClF3N3/c1-14(12)6-5(8)2-4(3-13-6)7(9,10)11/h2-3H,12H2,1H3
InChIKey
YGPUMJSRBNTPNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.84
TPSA
42.15

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2.1
Consensus LogP
1.99
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.63

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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