CAS RN: 2227198-91-4
cis-1,3-dihydroxycyclobutane-1-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250410 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2227198-91-4
- Purity/Analytical Methods: >99.0%
2227198-91-4 / 1,3-dihydroxycyclobutane-1-carboxylic acid
Basic Information
CAS
2227198-91-4
Multi CAS
No
Molecular Formula
C5H8O4
Molecular Weight
132.110000
Exact Mass
132.042259
SMILES
C1C(CC1(C(=O)O)O)O
InChI
InChI=1S/C5H8O4/c6-3-1-5(9,2-3)4(7)8/h3,6,9H,1-2H2,(H,7,8)
InChIKey
DRHHIKAKVKYIQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
27.83
TPSA
77.76
LogP / Solubility
WLOGP
-1.04
MLOGP
-0.93
XLogP3
-1.1
Consensus LogP
-1.02
Log S (ESOL)
0.06
Class (ESOL)
Highly soluble
Log S (Ali)
0.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.23
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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