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CAS 715-11-7 P-TOLUENESULFONIC ACID SEC-BUTYL ESTER molecular structure lightbox
CAS RN: 715-11-7

P-TOLUENESULFONIC ACID SEC-BUTYL ESTER

  • Product code: SSC-181097
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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 715-11-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

715-11-7 / butan-2-yl 4-methylbenzenesulfonate

Standard CAS: 715-11-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
715-11-7
Multi CAS
Yes
Molecular Formula
C11H16O3S
Molecular Weight
228.310000
Exact Mass
228.082016
InChI
InChI=1S/C11H16O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChIKey
AYHWQTQILBGWRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
59.2
TPSA
43.37

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.9
Consensus LogP
2.53
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.34

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
2

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