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CAS 1445993-85-0 4-bromo-7-methoxy-1-tosyl-1H-pyrrolo[2,3-c]pyridine molecular structure lightbox
CAS RN: 1445993-85-0

4-bromo-7-methoxy-1-tosyl-1H-pyrrolo[2,3-c]pyridine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250930 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: SSC-055805
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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: ≥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 1445993-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1445993-85-0 / 4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine

Standard CAS: 1445993-85-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1445993-85-0
Multi CAS
No
Molecular Formula
C15H13BrN2O3S
Molecular Weight
381.200000
Exact Mass
379.983030
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C(=NC=C3Br)OC
InChI
InChI=1S/C15H13BrN2O3S/c1-10-3-5-11(6-4-10)22(19,20)18-8-7-12-13(16)9-17-15(21-2)14(12)18/h3-9H,1-2H3
InChIKey
JJPYBDZWIWWOEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
87.75
TPSA
61.19

LogP / Solubility

WLOGP
3.35
MLOGP
2.97
XLogP3
3.5
Consensus LogP
3.27
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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