![CAS 1808157-46-1 [3,3′-Bipyridine]-2,2′-dicarboxylic Acid Hydrate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1808157-46-1.gif)
CAS RN: 1808157-46-1
[3,3′-Bipyridine]-2,2′-dicarboxylic Acid Hydrate
- Product code: SSC-082132
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1808157-46-1 / 3-(2-carboxy-3-pyridinyl)pyridine-2-carboxylic acid;hydrate
Basic Information
CAS
1808157-46-1
Multi CAS
No
Molecular Formula
C12H10N2O5
Molecular Weight
262.220000
Exact Mass
262.058971
SMILES
C1=CC(=C(N=C1)C(=O)O)C2=C(N=CC=C2)C(=O)O.O
InChI
InChI=1S/C12H8N2O4.H2O/c15-11(16)9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(17)18;/h1-6H,(H,15,16)(H,17,18);1H2
InChIKey
YREZHBZWIOHTLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65
TPSA
131.88
LogP / Solubility
WLOGP
0.72
MLOGP
0.64
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
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)
-3.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Applications of CAS 1808157-46-1
This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1808157-46-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Storage & Handling
Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
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