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CAS 13627-49-1 2-Methyl-4-pyrimidinecarboxylic acid molecular structure lightbox
CAS RN: 13627-49-1

2-Methyl-4-pyrimidinecarboxylic acid

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260322 100mg In stock Shanghai Inquiry
Batchno.20250929 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250323 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251204 25g In stock Shanghai Inquiry
Batchno.20250510 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-045182
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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: 5g
  • 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 13627-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

13627-49-1 / 2-methylpyrimidine-4-carboxylic acid

Standard CAS: 13627-49-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13627-49-1
Multi CAS
No
Molecular Formula
C6H6N2O2
Molecular Weight
138.120000
Exact Mass
138.042927
SMILES
CC1=NC=CC(=N1)C(=O)O
InChI
InChI=1S/C6H6N2O2/c1-4-7-3-2-5(8-4)6(9)10/h2-3H,1H3,(H,9,10)
InChIKey
CDBDBWCUGHXFTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.73
TPSA
63.08

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.5
Consensus LogP
0.47
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
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)
-3.22

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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