[email protected]
CAS 116233-54-6 2H-Pyran-2-carboxylic acid, 3,6-dihydro- molecular structure lightbox
CAS RN: 116233-54-6

2H-Pyran-2-carboxylic acid, 3,6-dihydro-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-016351
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 116233-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

116233-54-6 / 3,6-dihydro-2H-pyran-2-carboxylic acid

3,6-dihydro-2H-pyran-2-carboxylic acid | RefChem:487561 | 850-038-4

Standard CAS: 116233-54-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116233-54-6
Multi CAS
No
Molecular Formula
C6H8O3
Molecular Weight
128.130000
Exact Mass
128.047344
SMILES
C1C=CCOC1C(=O)O
InChI
InChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h1-2,5H,3-4H2,(H,7,8)
InChIKey
OWRKSSDYRPRYGL-UHFFFAOYSA-N
Synonyms
3,6-dihydro-2H-pyran-2-carboxylic acid RefChem:487561 850-038-4 MFCD19228699 3,6-dihydro-2H-pyran-2-carboxylicacid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.13
TPSA
46.53

LogP / Solubility

WLOGP
0.42
MLOGP
0.36
XLogP3
0.4
Consensus LogP
0.39
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very 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)
-3.21

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
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

Customers Also Viewed

Get In Touch

Contact Us