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CAS 1005508-80-4 Methyl 2-amino-6-chloropyridine-4-carboxylate molecular structure lightbox
CAS RN: 1005508-80-4

Methyl 2-amino-6-chloropyridine-4-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251210 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-001151
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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 1005508-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1005508-80-4 / methyl 2-amino-6-chloropyridine-4-carboxylate

methyl 2-amino-6-chloroisonicotinate | methyl 2-amino-6-chloropyridine-4-carboxylate | Methyl2-amino-6-chloropyridine-4-carboxylate

Standard CAS: 1005508-80-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1005508-80-4
Multi CAS
No
Molecular Formula
C7H7ClN2O2
Molecular Weight
186.590000
Exact Mass
186.019605
SMILES
COC(=O)C1=CC(=NC(=C1)Cl)N
InChI
InChI=1S/C7H7ClN2O2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3,(H2,9,10)
InChIKey
MYBUXYUDDLFCPJ-UHFFFAOYSA-N
Synonyms
methyl 2-amino-6-chloroisonicotinate methyl 2-amino-6-chloropyridine-4-carboxylate Methyl2-amino-6-chloropyridine-4-carboxylate MFCD18447558 SCHEMBL4726690

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45
TPSA
65.21

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.3
Consensus LogP
1.12
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-3.07

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

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