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CAS 110407-56-2 2H-Pyran-3-carboxylicacid,tetrahydro-6-methoxy-(9CI) molecular structure lightbox
CAS RN: 110407-56-2

2H-Pyran-3-carboxylicacid,tetrahydro-6-methoxy-(9CI)

  • Product code: SSC-011489
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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: 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 110407-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

110407-56-2 / 6-methoxyoxane-3-carboxylic acid

6-Methoxytetrahydro-2H-pyran-3-carboxylic acid | 6-methoxytetrahydropyran-3-carboxylic acid | 6-METHOXYOXANE-3-CARBOXYLIC ACID

Standard CAS: 110407-56-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110407-56-2
Multi CAS
Yes
Molecular Formula
C7H12O4
Molecular Weight
160.170000
Exact Mass
160.073559
SMILES
COC1CCC(CO1)C(=O)O
InChI
InChI=1S/C7H12O4/c1-10-6-3-2-5(4-11-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
KSNJMWUSUYKVTL-UHFFFAOYSA-N
Synonyms
6-Methoxytetrahydro-2H-pyran-3-carboxylic acid 6-methoxytetrahydropyran-3-carboxylic acid 6-METHOXYOXANE-3-CARBOXYLIC ACID 2H-Pyran-3-carboxylicacid,tetrahydro-6-methoxy-(9CI) SCHEMBL10748606

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.11
TPSA
55.76

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
0.1
Consensus LogP
0.33
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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