CAS RN: 1107609-36-8
3-(6-Methoxy-3-Pyridinyl)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.20251001 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-011705
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1107609-36-8 / 3-(6-methoxy-3-pyridinyl)propanoic acid
3-(6-Methoxy-3-pyridinyl)propanoic acid | 3-(6-methoxypyridin-3-yl)propanoic acid | MFCD18259982
Basic Information
CAS
1107609-36-8
Multi CAS
No
Molecular Formula
C9H11NO3
Molecular Weight
181.190000
Exact Mass
181.073893
SMILES
COC1=NC=C(C=C1)CCC(=O)O
InChI
InChI=1S/C9H11NO3/c1-13-8-4-2-7(6-10-8)3-5-9(11)12/h2,4,6H,3,5H2,1H3,(H,11,12)
InChIKey
AVKMBNIMMCMCBT-UHFFFAOYSA-N
Synonyms
3-(6-Methoxy-3-pyridinyl)propanoic acid
3-(6-methoxypyridin-3-yl)propanoic acid
MFCD18259982
6-Methoxy-3-pyridinepropanoic acid
3-(6-Methoxy-3-pyridyl)propanoic Acid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.75
TPSA
59.42
LogP / Solubility
WLOGP
1.11
MLOGP
0.97
XLogP3
0.9
Consensus LogP
0.99
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Garcinexanthone A
- CAS RN: 1107620-67-6
- Product Code: starshine_CAS1107620-67-6
- Purity/Analytical method: >99.0%
-
-
1-Methyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]iMidazole
- CAS RN: 1107627-01-9
- Product Code: SSC-011709
-
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
- CAS RN: 1107627-02-0
- Product Code: SSC-011710
-
(1-Methyl-1H-benzimidazol-5-yl)boronic acid
- CAS RN: 1107627-21-3
- Product Code: SSC-011713
-
![CAS 1107627-01-9 1-Methyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]iMidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1107627-01-9.gif)
