CAS RN: 35005-81-3
3-Pyridinecarboxylic acid, 6-(hydroxyMethyl)-, ethyl ester
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.20260501 | 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-141719
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, 5g, 10g, 25g, 0.25g, 0.1g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 6
- 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 | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
35005-81-3 / ethyl 6-(hydroxymethyl)pyridine-3-carboxylate
Basic Information
CAS
35005-81-3
Multi CAS
No
Molecular Formula
C9H11NO3
Molecular Weight
181.190000
Exact Mass
181.073893
InChI
InChI=1S/C9H11NO3/c1-2-13-9(12)7-3-4-8(6-11)10-5-7/h3-5,11H,2,6H2,1H3
InChIKey
RDSGPHNFOMPILP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.12
TPSA
59.42
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.2
Consensus LogP
0.54
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-3.29
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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