[email protected]
CAS 1408074-63-4 Methyl (6-chloro-5-methyl-pyridazin-3-yl)acetate molecular structure lightbox
CAS RN: 1408074-63-4

Methyl (6-chloro-5-methyl-pyridazin-3-yl)acetate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251104 100mg In stock Shanghai Inquiry
Batchno.20250512 1g In stock Shanghai Inquiry
Batchno.20250531 250mg In stock Shanghai Inquiry
Batchno.20251220 50mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20250130 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1408074-63-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1408074-63-4 / methyl 2-(6-chloro-5-methylpyridazin-3-yl)acetate

Standard CAS: 1408074-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408074-63-4
Multi CAS
No
Molecular Formula
C8H9ClN2O2
Molecular Weight
200.620000
Exact Mass
200.035255
SMILES
CC1=CC(=NN=C1Cl)CC(=O)OC
InChI
InChI=1S/C8H9ClN2O2/c1-5-3-6(4-7(12)13-2)10-11-8(5)9/h3H,4H2,1-2H3
InChIKey
PHCPBLHBBWSDBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
47.5
TPSA
52.08

LogP / Solubility

WLOGP
1.15
MLOGP
1.02
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-3.12

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us