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CAS 1630101-71-1 methyl 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-bromobenzoate molecular structure lightbox
CAS RN: 1630101-71-1

methyl 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-bromobenzoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-070560
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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 1630101-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1630101-71-1 / methyl 4-bromo-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate

Standard CAS: 1630101-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630101-71-1
Multi CAS
No
Molecular Formula
C15H11BrN2O3
Molecular Weight
347.160000
Exact Mass
345.995300
SMILES
COC(=O)C1=C(C=C(C=C1)Br)OC2=CN=C3C(=C2)C=CN3
InChI
InChI=1S/C15H11BrN2O3/c1-20-15(19)12-3-2-10(16)7-13(12)21-11-6-9-4-5-17-14(9)18-8-11/h2-8H,1H3,(H,17,18)
InChIKey
XUKMBKRGXYCKBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.65
TPSA
64.21

LogP / Solubility

WLOGP
3.9
MLOGP
3.45
XLogP3
3.4
Consensus LogP
3.58
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

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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