CAS RN: 119-19-7
7-Anilino-1-naphthol-3-sulfonic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260311 | 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS119-19-7
- Purity/Analytical Methods: >99.0%
119-19-7 / 6-anilino-4-hydroxynaphthalene-2-sulfonic acid
6-Anilino-4-hydroxynaphthalene-2-sulphonic acid | EINECS 204-305-1 | DTXSID20152277
Basic Information
CAS
119-19-7
Multi CAS
Yes
Molecular Formula
C16H13NO4S
Molecular Weight
315.300000
Exact Mass
315.056529
SMILES
C1=CC=C(C=C1)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O
InChI
InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)8-11-6-7-13(9-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)
InChIKey
QEAYLNJEDDOYNQ-UHFFFAOYSA-N
Synonyms
6-Anilino-4-hydroxynaphthalene-2-sulphonic acid
EINECS 204-305-1
DTXSID20152277
NSC 8660
NSC 37154
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
85.15
TPSA
86.63
LogP / Solubility
WLOGP
3.54
MLOGP
3.13
XLogP3
1.4
Consensus LogP
2.69
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
