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CAS 24767-82-6 Heptyl p-Toluenesulfonate molecular structure lightbox
CAS RN: 24767-82-6

Heptyl p-Toluenesulfonate

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251205 1g In stock Inquiry
Batchno.20250817 25g In stock Inquiry
Batchno.20260530 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250912 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-119855
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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: 25g
  • 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 24767-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

24767-82-6 / heptyl 4-methylbenzenesulfonate

Standard CAS: 24767-82-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24767-82-6
Multi CAS
No
Molecular Formula
C14H22O3S
Molecular Weight
270.390000
Exact Mass
270.128966
SMILES
CCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C14H22O3S/c1-3-4-5-6-7-12-17-18(15,16)14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3
InChIKey
BQPVBPLMUCJNOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
73.08
TPSA
43.37

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
4.3
Consensus LogP
3.74
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly 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)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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