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CAS 65131-09-1 7-Methoxy-3-phenylsulfonyl-1(3H)-isobenzofuranone molecular structure lightbox
CAS RN: 65131-09-1

7-Methoxy-3-phenylsulfonyl-1(3H)-isobenzofuranone

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260430 1g Out of stock 8-10 business days Inquiry
Batchno.20251125 250mg In stock Shanghai Inquiry
  • Product code: SSC-174782
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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: ≥98%
  • 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 65131-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

65131-09-1 / 3-(benzenesulfonyl)-7-methoxy-3H-2-benzofuran-1-one

Standard CAS: 65131-09-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65131-09-1
Multi CAS
Yes
Molecular Formula
C15H12O5S
Molecular Weight
304.300000
Exact Mass
304.040545
InChI
InChI=1S/C15H12O5S/c1-19-12-9-5-8-11-13(12)14(16)20-15(11)21(17,18)10-6-3-2-4-7-10/h2-9,15H,1H3
InChIKey
BNOAFLKWYXXZHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
74.78
TPSA
69.67

LogP / Solubility

WLOGP
2.34
MLOGP
2.07
XLogP3
2.4
Consensus LogP
2.27
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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