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CAS 2382664-60-8 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-chloro-2-(4-morpholinylmethyl)-1-(phenylsulfonyl)- molecular structure lightbox
CAS RN: 2382664-60-8

1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-chloro-2-(4-morpholinylmethyl)-1-(phenylsulfonyl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250824 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-116121
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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 2382664-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2382664-60-8 / 1-(benzenesulfonyl)-4-chloro-2-(morpholin-4-ylmethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

Standard CAS: 2382664-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2382664-60-8
Multi CAS
No
Molecular Formula
C19H18ClN3O4S
Molecular Weight
419.900000
Exact Mass
419.070655
SMILES
C1COCCN1CC2=CC3=C(C(=CN=C3N2S(=O)(=O)C4=CC=CC=C4)C=O)Cl
InChI
InChI=1S/C19H18ClN3O4S/c20-18-14(13-24)11-21-19-17(18)10-15(12-22-6-8-27-9-7-22)23(19)28(25,26)16-4-2-1-3-5-16/h1-5,10-11,13H,6-9,12H2
InChIKey
ASEDTXDUTOEXFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
105.25
TPSA
81.5

LogP / Solubility

WLOGP
2.57
MLOGP
2.29
XLogP3
2.1
Consensus LogP
2.32
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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