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: 25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
85328-80-9 / sodium 4-amino-5-sulfonaphthalene-1-sulfonate
Basic Information
CAS
85328-80-9
Multi CAS
Yes
Molecular Formula
C10H8NNAO6S2
Molecular Weight
325.300000
Exact Mass
324.969074
InChI
InChI=1S/C10H9NO6S2.Na/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-1
InChIKey
WOWVZFYIERZJSU-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
66.14
TPSA
137.59
LogP / Solubility
WLOGP
-2.42
MLOGP
-2.12
XLogP3
-2.42
Consensus LogP
-2.32
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Class (SILICOS-IT)
Very 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)
-6.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 91978-69-7
- Product Code: ICTP2091
- Purity/Analytical method: >98.0%(T)(HPLC)
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