[email protected]
CAS 502496-23-3 3,5-Bis(trifluoromethyl)phenylhydrazine hydrochloride molecular structure lightbox
CAS RN: 502496-23-3

3,5-Bis(trifluoromethyl)phenylhydrazine hydrochloride

  • Product code: SSC-156652
GET A QUOTE
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: 25g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 502496-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

502496-23-3 / [3,5-bis(trifluoromethyl)phenyl]hydrazine;hydrochloride

Standard CAS: 502496-23-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
502496-23-3
Multi CAS
Yes
Molecular Formula
C8H7CLF6N2
Molecular Weight
280.600000
Exact Mass
280.020195
InChI
InChI=1S/C8H6F6N2.ClH/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15;/h1-3,16H,15H2;1H
InChIKey
OPIOKSFIERNABH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.5
TPSA
38.05

LogP / Solubility

WLOGP
3.43
MLOGP
3.03
XLogP3
3.43
Consensus LogP
3.3
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

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

Customers Also Viewed

Get In Touch

Contact Us