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CAS 109113-39-5 1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine molecular structure lightbox
CAS RN: 109113-39-5

1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-010247
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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 109113-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

109113-39-5 / 1-(benzenesulfonyl)pyrrolo[3,2-c]pyridine

1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine | 1-(Benzenesulfonyl)-1H-pyrrolo[3,2-c]pyridine | MFCD11848711

Standard CAS: 109113-39-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
109113-39-5
Multi CAS
No
Molecular Formula
C13H10N2O2S
Molecular Weight
258.300000
Exact Mass
258.046299
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CN=C3
InChI
InChI=1S/C13H10N2O2S/c16-18(17,12-4-2-1-3-5-12)15-9-7-11-10-14-8-6-13(11)15/h1-10H
InChIKey
JXCHTSUBCBYZAV-UHFFFAOYSA-N
Synonyms
1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine 1-(Benzenesulfonyl)-1H-pyrrolo[3,2-c]pyridine MFCD11848711 1-(BENZENESULFONYL)PYRROLO[3,2-C]PYRIDINE 1-(Phenylsulfonyl)-5-azaindole

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
68.76
TPSA
51.96

LogP / Solubility

WLOGP
2.27
MLOGP
2.01
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

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

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