CAS RN: 1181574-73-1
2-hydroxy-3-(3-methoxyphenyl)propanoic 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.20250426 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-017981
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 |
1181574-73-1 / 2-hydroxy-3-(3-methoxyphenyl)propanoic acid
2-hydroxy-3-(3-methoxyphenyl)propanoic acid | MFCD11935533 | SCHEMBL1368547
Basic Information
CAS
1181574-73-1
Multi CAS
No
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
SMILES
COC1=CC=CC(=C1)CC(C(=O)O)O
InChI
InChI=1S/C10H12O4/c1-14-8-4-2-3-7(5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKey
NYKBGDTVNFDPRC-UHFFFAOYSA-N
Synonyms
2-hydroxy-3-(3-methoxyphenyl)propanoic acid
MFCD11935533
SCHEMBL1368547
GXB57473
AKOS014313081
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.34
TPSA
66.76
LogP / Solubility
WLOGP
0.68
MLOGP
0.6
XLogP3
1.1
Consensus LogP
0.79
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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