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CAS 1523606-42-9 4-Methoxy-7-Methyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid molecular structure lightbox
CAS RN: 1523606-42-9

4-Methoxy-7-Methyl-7H-pyrrolo[2,3-d]pyriMidine-6-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-062201
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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: 0.25g
  • 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 1523606-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1523606-42-9 / 4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Standard CAS: 1523606-42-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1523606-42-9
Multi CAS
No
Molecular Formula
C9H9N3O3
Molecular Weight
207.190000
Exact Mass
207.064391
SMILES
CN1C(=CC2=C1N=CN=C2OC)C(=O)O
InChI
InChI=1S/C9H9N3O3/c1-12-6(9(13)14)3-5-7(12)10-4-11-8(5)15-2/h3-4H,1-2H3,(H,13,14)
InChIKey
AQCBBZWIITWGGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.02
TPSA
77.24

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
0.8
Consensus LogP
0.69
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.5

Drug-likeness / Medicinal Chemistry

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

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