![CAS 861533-46-2 3,3′-dihydroxy-[1,1′-biphenyl]-4,4′-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/861533-46-2.png)
CAS RN: 861533-46-2
3,3′-dihydroxy-[1,1′-biphenyl]-4,4′-dicarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250331 | 25mg / 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-195029
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
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
861533-46-2 / 4-(4-carboxy-3-hydroxyphenyl)-2-hydroxybenzoic acid
Basic Information
CAS
861533-46-2
Multi CAS
No
Molecular Formula
C14H10O6
Molecular Weight
274.220000
Exact Mass
274.047738
InChI
InChI=1S/C14H10O6/c15-11-5-7(1-3-9(11)13(17)18)8-2-4-10(14(19)20)12(16)6-8/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKey
HVMTVUVEDJACFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
69.13
TPSA
115.06
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
3
Consensus LogP
2.36
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
