CAS RN: 76758-30-0
1,5-NAPHTHALENEDISULFONIC ACID DISODIUM SALT, DIHYDRATE, 98
- Product code: SSC-186178
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
76758-30-0 / disodium;naphthalene-1,5-disulfonate;dihydrate
Basic Information
CAS
76758-30-0
Multi CAS
Yes
Molecular Formula
C10H10NA2O8S2
Molecular Weight
368.300000
Exact Mass
367.961248
InChI
InChI=1S/C10H8O6S2.2Na.2H2O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;;;/h1-6H,(H,11,12,13)(H,14,15,16);;;2*1H2/q;2*+1;;/p-2
InChIKey
LDXMXIDAHDPDMU-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
67.1
TPSA
177.4
LogP / Solubility
WLOGP
-6.99
MLOGP
-6.13
XLogP3
-6.99
Consensus LogP
-6.7
Log S (ESOL)
2.08
Class (ESOL)
Highly soluble
Log S (Ali)
2.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.51
Class (SILICOS-IT)
Highly 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)
-9.93
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
2.5
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