[email protected]
CAS 52449-98-6 Furan-2-carbonyl chloride, tetrahydro- molecular structure lightbox
CAS RN: 52449-98-6

Furan-2-carbonyl chloride, tetrahydro-

  • Product code: SSC-159559
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 52449-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

52449-98-6 / oxolane-2-carbonyl chloride

Standard CAS: 52449-98-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
52449-98-6
Multi CAS
No
Molecular Formula
C5H7ClO2
Molecular Weight
134.560000
Exact Mass
134.013457
SMILES
C1CC(OC1)C(=O)Cl
InChI
InChI=1S/C5H7ClO2/c6-5(7)4-2-1-3-8-4/h4H,1-3H2
InChIKey
DVCFNCQPOANJGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
29.83
TPSA
26.3

LogP / Solubility

WLOGP
0.93
MLOGP
0.81
XLogP3
1.2
Consensus LogP
0.98
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (60%): Combustible liquid [Warning Flammable liquids] H290 (40%): May be corrosive to metals [Warning Corrosive to Metals] H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P390, P403, P403+P233, P405, P406, and P501

Customers Also Viewed

Get In Touch

Contact Us