![CAS 887981-31-9 [6-(2,4-DiMethoxyphenyl)-2-pyridyl]Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887981-31-9.gif)
CAS RN: 887981-31-9
[6-(2,4-DiMethoxyphenyl)-2-pyridyl]Methanol
- Product code: SSC-200522
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, 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.
887981-31-9 / [6-(2,4-dimethoxyphenyl)-2-pyridinyl]methanol
Basic Information
CAS
887981-31-9
Multi CAS
No
Molecular Formula
C14H15NO3
Molecular Weight
245.270000
Exact Mass
245.105193
InChI
InChI=1S/C14H15NO3/c1-17-11-6-7-12(14(8-11)18-2)13-5-3-4-10(9-16)15-13/h3-8,16H,9H2,1-2H3
InChIKey
VOCWOVABAXBFJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.7
TPSA
51.58
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
1.6
Consensus LogP
1.95
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 887981-41-1 [6-(2,4-Difluorophenyl)-2-pyridyl]Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887981-41-1.gif)
