CAS RN: 49745-42-8
2-(2-PYRIDINYL)-1,3-PROPANEDIOL
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.20250324 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS49745-42-8
- Purity/Analytical Methods: >99.0%
49745-42-8 / 2-pyridin-2-ylpropane-1,3-diol
Basic Information
CAS
49745-42-8
Multi CAS
Yes
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
InChI
InChI=1S/C8H11NO2/c10-5-7(6-11)8-3-1-2-4-9-8/h1-4,7,10-11H,5-6H2
InChIKey
JGXRFQKRGPKWPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.15
TPSA
53.35
LogP / Solubility
WLOGP
0.15
MLOGP
0.13
XLogP3
-0.4
Consensus LogP
-0.04
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
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)
-3.55
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
-
-
2-(2-METHOXY-ETHOXY)-5-TRIFLUOROMETHYL-PHENYLAMINE
- CAS RN: 49750-74-5
- Product Code: SSC-156033
-
Garamine
- CAS RN: 49751-51-1
- Product Code: starshine_CAS49751-51-1
- Purity/Analytical method: >99.0%
-
-
-
