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CAS 1186502-59-9 1H-Pyrrolo[2,3-b]pyridin-5-aMine, 2-Methyl-1-(phenylsulfonyl)- molecular structure lightbox
CAS RN: 1186502-59-9

1H-Pyrrolo[2,3-b]pyridin-5-aMine, 2-Methyl-1-(phenylsulfonyl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-018532
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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 1186502-59-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1186502-59-9 / 1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-5-amine

1-(benzenesulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine | MFCD15529395 | 2-methyl-1-(phenylsulfonyl)-1h-pyrrolo[2,3-b]pyridin-5-amine

Standard CAS: 1186502-59-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186502-59-9
Multi CAS
No
Molecular Formula
C14H13N3O2S
Molecular Weight
287.340000
Exact Mass
287.072848
SMILES
CC1=CC2=CC(=CN=C2N1S(=O)(=O)C3=CC=CC=C3)N
InChI
InChI=1S/C14H13N3O2S/c1-10-7-11-8-12(15)9-16-14(11)17(10)20(18,19)13-5-3-2-4-6-13/h2-9H,15H2,1H3
InChIKey
VVFKELIDMAIOMX-UHFFFAOYSA-N
Synonyms
1-(benzenesulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine MFCD15529395 2-methyl-1-(phenylsulfonyl)-1h-pyrrolo[2,3-b]pyridin-5-amine 1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-5-amine 1-(Benzenesulfonyl)-2-methyl-pyrrolo[2,3-b]pyridin-5-amine

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
77.91
TPSA
77.98

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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