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CAS 1137881-93-6 2-(methoxycarbonyl)-6-methylisonicotinic acid molecular structure lightbox
CAS RN: 1137881-93-6

2-(methoxycarbonyl)-6-methylisonicotinic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 1g Out of stock 15 business days Inquiry
  • Product code: SSC-013782
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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 1137881-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1137881-93-6 / 2-methoxycarbonyl-6-methylpyridine-4-carboxylic acid

2-(METHOXYCARBONYL)-6-METHYLISONICOTINIC ACID | SCHEMBL2719086 | DFXHIZLLYHWIOK-UHFFFAOYSA-N

Standard CAS: 1137881-93-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1137881-93-6
Multi CAS
No
Molecular Formula
C9H9NO4
Molecular Weight
195.170000
Exact Mass
195.053158
SMILES
CC1=CC(=CC(=N1)C(=O)OC)C(=O)O
InChI
InChI=1S/C9H9NO4/c1-5-3-6(8(11)12)4-7(10-5)9(13)14-2/h3-4H,1-2H3,(H,11,12)
InChIKey
DFXHIZLLYHWIOK-UHFFFAOYSA-N
Synonyms
2-(METHOXYCARBONYL)-6-METHYLISONICOTINIC ACID SCHEMBL2719086 DFXHIZLLYHWIOK-UHFFFAOYSA-N MFCD22545300 AB79557

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.27
TPSA
76.49

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
1
Consensus LogP
0.88
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.29

Drug-likeness / Medicinal Chemistry

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

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