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CAS 1138-56-3 4-(N-BUTOXY)BENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 1138-56-3

4-(N-BUTOXY)BENZENESULFONYL CHLORIDE

Product Availability

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 1g In stock Inquiry
Batchno.20250217 250mg In stock Inquiry
Batchno.20260403 25g Out of stock Inquiry
Batchno.20251214 5g Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 250mg / 1g / 5g / 25g Out of stock 15 business days Inquiry
  • Product code: SSC-013792
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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: 5g
  • 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 1138-56-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1138-56-3 / 4-butoxybenzenesulfonyl chloride

4-Butoxybenzenesulfonyl chloride | RefChem:520610 | 601-287-0

Standard CAS: 1138-56-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1138-56-3
Multi CAS
No
Molecular Formula
C10H13ClO3S
Molecular Weight
248.730000
Exact Mass
248.027393
SMILES
CCCCOC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3
InChIKey
HGKWMUBXVMFXNC-UHFFFAOYSA-N
Synonyms
4-Butoxybenzenesulfonyl chloride RefChem:520610 601-287-0 4-(n-Butoxy)benzenesulfonyl chloride 4-butoxybenzene-1-sulfonyl chloride

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
59.88
TPSA
43.37

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
3.5
Consensus LogP
2.92
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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)
-2.25

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501

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