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CAS 350601-39-7 Methyl 4-aMino-3,6-dichloropicolinate molecular structure lightbox
CAS RN: 350601-39-7

Methyl 4-aMino-3,6-dichloropicolinate

  • Product code: SSC-141762
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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: ＞97%
  • 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 350601-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

350601-39-7 / methyl 4-amino-3,6-dichloropyridine-2-carboxylate

Standard CAS: 350601-39-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
350601-39-7
Multi CAS
No
Molecular Formula
C7H6CL2N2O2
Molecular Weight
221.040000
Exact Mass
219.980633
InChI
InChI=1S/C7H6Cl2N2O2/c1-13-7(12)6-5(9)3(10)2-4(8)11-6/h2H,1H3,(H2,10,11)
InChIKey
FRMBCYILCYTPHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.01
TPSA
65.21

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.82

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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