CAS RN: 13987-45-6
4,4′-Dihydroxybiphenyl-3,3′-dicarboxylic acid
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250205 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260630 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250511 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251019 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20251222 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250410 | 500g | Out of stock | Inquiry | |
| Batchno.20250615 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: LIND887222
13987-45-6 / 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid
Basic Information
CAS
13987-45-6
Multi CAS
No
Molecular Formula
C14H10O6
Molecular Weight
274.220000
Exact Mass
274.047738
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
InChI
InChI=1S/C14H10O6/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKey
UISWLBIMLGAHMF-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
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