[email protected]
CAS 1578-97-8 3-(CHLOROMETHYL)-1-METHYL-1H-INDAZOLE molecular structure lightbox
CAS RN: 1578-97-8

3-(CHLOROMETHYL)-1-METHYL-1H-INDAZOLE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250710 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1578-97-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1578-97-8 / 3-(chloromethyl)-1-methylindazole

Standard CAS: 1578-97-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1578-97-8
Multi CAS
No
Molecular Formula
C9H9ClN2
Molecular Weight
180.630000
Exact Mass
180.045426
SMILES
CN1C2=CC=CC=C2C(=N1)CCl
InChI
InChI=1S/C9H9ClN2/c1-12-9-5-3-2-4-7(9)8(6-10)11-12/h2-5H,6H2,1H3
InChIKey
LYLGQIOTMAQQEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.27
TPSA
17.82

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2
Consensus LogP
2.11
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us