CAS RN: 1425485-72-8
DBCO-C6-acid
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250612 | 100g | Out of stock | Inquiry | |
| Batchno.20250212 | 100mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250703 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260104 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260318 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260612 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20251224 | 50mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260424 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-053330
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, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- 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.
1425485-72-8 / 6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoic acid
Basic Information
CAS
1425485-72-8
Multi CAS
No
Molecular Formula
C21H19NO3
Molecular Weight
333.400000
Exact Mass
333.136493
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCCCC(=O)O
InChI
InChI=1S/C21H19NO3/c23-20(11-5-6-12-21(24)25)22-15-18-9-2-1-7-16(18)13-14-17-8-3-4-10-19(17)22/h1-4,7-10H,5-6,11-12,15H2,(H,24,25)
InChIKey
NIRLBCOFKPVQLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
96.16
TPSA
57.61
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3
Consensus LogP
3.25
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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