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CAS 944937-30-8 3-IODO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLICACIDMETHYLESTER molecular structure lightbox
CAS RN: 944937-30-8

3-IODO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLICACIDMETHYLESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250805 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-209540
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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 944937-30-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

944937-30-8 / methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

Standard CAS: 944937-30-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944937-30-8
Multi CAS
No
Molecular Formula
C9H7In2O2
Molecular Weight
302.070000
Exact Mass
301.955230
InChI
InChI=1S/C9H7IN2O2/c1-14-9(13)5-2-6-7(10)4-12-8(6)11-3-5/h2-4H,1H3,(H,11,12)
InChIKey
ABEUCTPKYMGJPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.15
TPSA
54.98

LogP / Solubility

WLOGP
1.95
MLOGP
1.73
XLogP3
1.8
Consensus LogP
1.83
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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