[email protected]
CAS 104768-26-5 Naphthalene-1,3,5-trisulfonic acid, sodium salt(1:1) molecular structure lightbox
CAS RN: 104768-26-5

Naphthalene-1,3,5-trisulfonic acid, sodium salt(1:1)

  • Product code: SSC-006507
GET A QUOTE
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: 5g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104768-26-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

104768-26-5 / sodium 3,5-disulfonaphthalene-1-sulfonate

Naphthalene-1,3,5-trisulfonic acid, sodium salt(1:1) | Naphthalene-1,3,5-trisulfonic acid, sodium salt(1 | MFCD29045238

Standard CAS: 104768-26-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104768-26-5
Multi CAS
Yes
Molecular Formula
C10H7NaO9S3
Molecular Weight
390.300000
Exact Mass
389.914990
SMILES
C1=CC2=C(C=C(C=C2S(=O)(=O)[O-])S(=O)(=O)O)C(=C1)S(=O)(=O)O.[Na+]
InChI
InChI=1S/C10H8O9S3.Na/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1
InChIKey
PHLNOHAVZQJRIW-UHFFFAOYSA-M
Synonyms
Naphthalene-1,3,5-trisulfonic acid, sodium salt(1:1) Naphthalene-1,3,5-trisulfonic acid, sodium salt(1 MFCD29045238 AKOS027250572 SY119641

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
2
Molar refractivity
71.54
TPSA
165.94

LogP / Solubility

WLOGP
-2.76
MLOGP
-2.4
XLogP3
-2.76
Consensus LogP
-2.64
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
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)
-7.06

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

Customers Also Viewed

Get In Touch

Contact Us