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CAS 368869-88-9 ETHYL 4-(CHLOROSULFONYL)-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 368869-88-9

ETHYL 4-(CHLOROSULFONYL)-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250725 100mg Out of stock Inquiry
Batchno.20260401 1g Out of stock Inquiry
Batchno.20251110 250mg Out of stock Inquiry
  • Product code: SSC-144159
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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 368869-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

368869-88-9 / ethyl 4-chlorosulfonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Standard CAS: 368869-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
368869-88-9
Multi CAS
No
Molecular Formula
C9H12CLNO4S
Molecular Weight
265.710000
Exact Mass
265.017557
InChI
InChI=1S/C9H12ClNO4S/c1-4-15-9(12)7-5(2)8(6(3)11-7)16(10,13)14/h11H,4H2,1-3H3
InChIKey
IRBVAHDFENUACC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.26
TPSA
76.23

LogP / Solubility

WLOGP
1.74
MLOGP
1.54
XLogP3
2.1
Consensus LogP
1.79
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

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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