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CAS 59815-29-1 3-Chlorosulfonyl-4-isopropylbenzoicacid molecular structure lightbox
CAS RN: 59815-29-1

3-Chlorosulfonyl-4-isopropylbenzoicacid

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250719 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250304 250mg In stock Shanghai Inquiry
Batchno.20250308 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250214 5g Out of stock Inquiry
  • Product code: SSC-168386
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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: ＞97%
  • 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 59815-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

59815-29-1 / 3-chlorosulfonyl-4-propan-2-ylbenzoic acid

Standard CAS: 59815-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59815-29-1
Multi CAS
No
Molecular Formula
C10H11CLO4S
Molecular Weight
262.710000
Exact Mass
262.006658
InChI
InChI=1S/C10H11ClO4S/c1-6(2)8-4-3-7(10(12)13)5-9(8)16(11,14)15/h3-6H,1-2H3,(H,12,13)
InChIKey
KSRCCOHUNHPILB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.53
TPSA
71.44

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.6
Consensus LogP
2.4
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-2.59

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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