Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g, 25g
- Available purity: ≥98%
- Inventory rows with stock: 12
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 10g | -- | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 25g | -- | 1 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
25173-36-8 / 3-(3-methylphenoxy)propanoic acid
Basic Information
CAS
25173-36-8
Multi CAS
No
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
SMILES
CC1=CC(=CC=C1)OCCC(=O)O
InChI
InChI=1S/C10H12O3/c1-8-3-2-4-9(7-8)13-6-5-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKey
CMDDTCGPFWGGTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.93
TPSA
46.53
LogP / Solubility
WLOGP
1.85
MLOGP
1.62
XLogP3
2.2
Consensus LogP
1.89
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
