![CAS 1660960-30-4 1,1′:3′,1”-Terphenyl]-4,4”-dicarboxylic acid, 3,3”-diamino-5′-(3-amino-4-carboxyphenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1660960-30-4.gif)
CAS RN: 1660960-30-4
1,1′:3′,1”-Terphenyl]-4,4”-dicarboxylic acid, 3,3”-diamino-5′-(3-amino-4-carboxyphenyl)-
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.20250813 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: SSC-072514
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
1660960-30-4 / 2-amino-4-[3,5-bis(3-amino-4-carboxyphenyl)phenyl]benzoic acid
Basic Information
CAS
1660960-30-4
Multi CAS
No
Molecular Formula
C27H21N3O6
Molecular Weight
483.500000
Exact Mass
483.143035
SMILES
C1=CC(=C(C=C1C2=CC(=CC(=C2)C3=CC(=C(C=C3)C(=O)O)N)C4=CC(=C(C=C4)C(=O)O)N)N)C(=O)O
InChI
InChI=1S/C27H21N3O6/c28-22-10-13(1-4-19(22)25(31)32)16-7-17(14-2-5-20(26(33)34)23(29)11-14)9-18(8-16)15-3-6-21(27(35)36)24(30)12-15/h1-12H,28-30H2,(H,31,32)(H,33,34)(H,35,36)
InChIKey
CYNMIFWAWKAHSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
6
Molar refractivity
136.87
TPSA
189.96
LogP / Solubility
WLOGP
4.53
MLOGP
4.02
XLogP3
5
Consensus LogP
4.52
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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