CAS RN: 852936-60-8
4-(HydroxyMethyl)-2,6-pyridinedicarboxylic Acid 2,6-DiMethyl Ester
- Product code: SSC-193636
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
852936-60-8 / dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate
Basic Information
CAS
852936-60-8
Multi CAS
No
Molecular Formula
C10H11NO5
Molecular Weight
225.200000
Exact Mass
225.063722
InChI
InChI=1S/C10H11NO5/c1-15-9(13)7-3-6(5-12)4-8(11-7)10(14)16-2/h3-4,12H,5H2,1-2H3
InChIKey
UJJJESXBXYFZCR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
52.84
TPSA
85.72
LogP / Solubility
WLOGP
0.15
MLOGP
0.13
XLogP3
0.3
Consensus LogP
0.19
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
N-(1,3-benzothiazol-2-ylMethyl)-N-MethylaMine
- CAS RN: 852940-46-6
- Product Code: SSC-193637
-
4-FLUORO-3-METHYLBENZO[B]THIOPHENE-2-CARBOXYLIC ACID
- CAS RN: 852940-49-9
- Product Code: SSC-193638
-
Intermediate
- CAS RN: 852948-13-1
- Product Code: starshine_CAS852948-13-1
- Purity/Analytical method: >99.0%
-
Acetamide, 2-chloro-N-(2-furanylphenylmethyl)-
- CAS RN: 852956-34-4
- Product Code: SSC-193639
-
21H,23H-Porphine, 5,10,15,20-tetrakis(5-bromo-2-thienyl)-
- CAS RN: 852982-57-1
- Product Code: SSC-193642
-
![CAS 852940-49-9 4-FLUORO-3-METHYLBENZO[B]THIOPHENE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852940-49-9.gif)
