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CAS 1111638-11-9 5H-Pyrrolo[2,3-b]pyrazine, 3-chloro-5-Methyl- molecular structure lightbox
CAS RN: 1111638-11-9

5H-Pyrrolo[2,3-b]pyrazine, 3-chloro-5-Methyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-012031
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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: 0.1g, 0.25g, 1g
  • 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 1111638-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1111638-11-9 / 3-chloro-5-methylpyrrolo[2,3-b]pyrazine

3-chloro-5-methyl-5h-pyrrolo[2,3-b]pyrazine | MFCD22417709 | 3-chloro-5-methylpyrrolo[2,3-b]pyrazine

Standard CAS: 1111638-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1111638-11-9
Multi CAS
No
Molecular Formula
C7H6ClN3
Molecular Weight
167.590000
Exact Mass
167.025025
SMILES
CN1C=CC2=NC=C(N=C21)Cl
InChI
InChI=1S/C7H6ClN3/c1-11-3-2-5-7(11)10-6(8)4-9-5/h2-4H,1H3
InChIKey
YDLMNLOKLZUARW-UHFFFAOYSA-N
Synonyms
3-chloro-5-methyl-5h-pyrrolo[2,3-b]pyrazine MFCD22417709 3-chloro-5-methylpyrrolo[2,3-b]pyrazine 5H-Pyrrolo[2,3-b]pyrazine, 3-chloro-5-Methyl- SCHEMBL2964956

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
43.52
TPSA
30.71

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
1.2
Consensus LogP
1.41
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-2.59

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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