CAS RN: 5332-41-2
3-AMINO-2,7-NAPHTHALENEDISULFONIC ACID MONOSODIUM SALT
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS5332-41-2
- Purity/Analytical Methods: >99.0%
5332-41-2 / sodium;3-aminonaphthalene-2,7-disulfonate;hydron
Basic Information
CAS
5332-41-2
Multi CAS
Yes
Molecular Formula
C10H8NNAO6S2
Molecular Weight
325.300000
Exact Mass
324.969074
InChI
InChI=1S/C10H9NO6S2.Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-1
InChIKey
SBRWTQONIUBBNF-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
65.4
TPSA
140.42
LogP / Solubility
WLOGP
-2.65
MLOGP
-2.32
XLogP3
-2.65
Consensus LogP
-2.54
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.19
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)
-6.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS5332-69-4
- Purity/Analytical method: >99.0%
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