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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
144-16-1 / 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
Basic Information
CAS
144-16-1
Multi CAS
No
Molecular Formula
C7H8O7
Molecular Weight
204.130000
Exact Mass
204.027003
SMILES
C1OC(=O)C(O1)(CC(=O)O)CC(=O)O
InChI
InChI=1S/C7H8O7/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7/h1-3H2,(H,8,9)(H,10,11)
InChIKey
PXPMCAKTYKAROX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
39.28
TPSA
110.13
LogP / Solubility
WLOGP
-0.79
MLOGP
-0.7
XLogP3
-1.3
Consensus LogP
-0.93
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very 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)
-4.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
