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CAS 1889401-96-0 (1-methoxycyclobutyl)methanesulfonyl chloride molecular structure lightbox
CAS RN: 1889401-96-0

(1-methoxycyclobutyl)methanesulfonyl chloride

  • Product code: SSC-088032
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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: 0.1g
  • 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 1889401-96-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1889401-96-0 / (1-methoxycyclobutyl)methanesulfonyl chloride

Standard CAS: 1889401-96-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1889401-96-0
Multi CAS
No
Molecular Formula
C6H11ClO3S
Molecular Weight
198.670000
Exact Mass
198.011743
SMILES
COC1(CCC1)CS(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO3S/c1-10-6(3-2-4-6)5-11(7,8)9/h2-5H2,1H3
InChIKey
CARQNAUGLGWZPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
43.23
TPSA
43.37

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-3.13

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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