[email protected]
CAS 270573-71-2 4 5-DIHYDROXY-1 3-BENZENEDISULFONIC ACI& molecular structure lightbox
CAS RN: 270573-71-2

4 5-DIHYDROXY-1 3-BENZENEDISULFONIC ACI&

  • Product code: SSC-125736
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 270573-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

270573-71-2 / disodium;4,5-dihydroxybenzene-1,3-disulfonate;hydrate

Standard CAS: 270573-71-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
270573-71-2
Multi CAS
No
Molecular Formula
C6H6Na2O9S2
Molecular Weight
332.200000
Exact Mass
331.924863
SMILES
C1=C(C=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+]
InChI
InChI=1S/C6H6O8S2.2Na.H2O/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2
InChIKey
ZLRROLLKQDRDPI-UHFFFAOYSA-L

Physical Properties

Physical Description
Solid; [Merck Index] Off-white crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
2
Molar refractivity
49.31
TPSA
186.36

LogP / Solubility

WLOGP
-7.91
MLOGP
-6.95
XLogP3
-7.91
Consensus LogP
-7.59
Log S (ESOL)
2.98
Class (ESOL)
Highly soluble
Log S (Ali)
3.43
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.51
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)
-10.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us