[email protected]
CAS 1183317-55-6 1-Cyclopentyl-1H-pyrazole-4-sulfonyl chloride molecular structure lightbox
CAS RN: 1183317-55-6

1-Cyclopentyl-1H-pyrazole-4-sulfonyl chloride

  • Product code: SSC-018111
GET A QUOTE
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
Request Bulk Quote

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 1183317-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1183317-55-6 / 1-cyclopentylpyrazole-4-sulfonyl chloride

1-cyclopentyl-1H-pyrazole-4-sulfonyl chloride | 1-cyclopentylpyrazole-4-sulfonyl chloride | IXB31755

Standard CAS: 1183317-55-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1183317-55-6
Multi CAS
No
Molecular Formula
C8H11ClN2O2S
Molecular Weight
234.700000
Exact Mass
234.022977
SMILES
C1CCC(C1)N2C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C8H11ClN2O2S/c9-14(12,13)8-5-10-11(6-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKey
GIAFANNCYYMURD-UHFFFAOYSA-N
Synonyms
1-cyclopentyl-1H-pyrazole-4-sulfonyl chloride 1-cyclopentylpyrazole-4-sulfonyl chloride IXB31755 MFCD12804979 AKOS010135446

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
52.77
TPSA
51.96

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.4
Consensus LogP
1.68
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us