![CAS 845827-00-1 [2,3-Bipyridine]-6-carboxylicacid(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/845827-00-1.gif)
CAS RN: 845827-00-1
[2,3-Bipyridine]-6-carboxylicacid(9CI)
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.20260113 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS845827-00-1
- Purity/Analytical Methods: >99.0%
845827-00-1 / 6-pyridin-3-ylpyridine-2-carboxylic acid
Basic Information
CAS
845827-00-1
Multi CAS
Yes
Molecular Formula
C11H8N2O2
Molecular Weight
200.190000
Exact Mass
200.058578
InChI
InChI=1S/C11H8N2O2/c14-11(15)10-5-4-8(7-13-10)9-3-1-2-6-12-9/h1-7H,(H,14,15)
InChIKey
AXJKHMPAWFRPAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.43
TPSA
63.08
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.3
Consensus LogP
1.59
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
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
-
-
-
NDHHMOUAQBVFNB-UHFFFAOYSA-N
- CAS RN: 845827-15-8
- Product Code: starshine_CAS845827-15-8
- Purity/Analytical method: >99.0%
-
-
Benzenemethanamine, 4-bromo-2-fluoro-.alpha.-methyl-, hydrochloride (1:1), (.alpha.R)-
- CAS RN: 845829-91-6
- Product Code: SSC-192141
-
