CAS RN: 16830-24-3
2-methyl-4-pyridinecarboxylic acid methyl ester
- Product code: SSC-073374
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
16830-24-3 / methyl 2-methylpyridine-4-carboxylate
Basic Information
CAS
16830-24-3
Multi CAS
No
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
SMILES
CC1=NC=CC(=C1)C(=O)OC
InChI
InChI=1S/C8H9NO2/c1-6-5-7(3-4-9-6)8(10)11-2/h3-5H,1-2H3
InChIKey
HHUNWJWOJPWLNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.31
TPSA
39.19
LogP / Solubility
WLOGP
1.18
MLOGP
1.03
XLogP3
1
Consensus LogP
1.07
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-2.81
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
-
-
-
kauran-16,17-diol
- CAS RN: 16836-31-0
- Product Code: starshine_CAS16836-31-0
- Purity/Analytical method: >99.0%
-
-
-
