CAS RN: 125697-91-8
Lavendustin B
Product Availability
Choose a grade to view its available package options.
15 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251224 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250124 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250824 | 1g | Out of stock | Inquiry | ||
| Batchno.20251209 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260417 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260531 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250701 | 50mg | Out of stock | Inquiry | ||
| Batchno.20260523 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250815 | 1mg / 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: ICTL0312
- Purity/Analytical Methods: >95.0%(HPLC)
125697-91-8 / 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
Basic Information
CAS
125697-91-8
Multi CAS
No
Molecular Formula
C21H19NO5
Molecular Weight
365.400000
Exact Mass
365.126323
SMILES
C1=CC=C(C(=C1)CN(CC2=CC=CC=C2O)C3=CC(=C(C=C3)O)C(=O)O)O
InChI
InChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)
InChIKey
RTYOLBQXFXYMKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
4
Molar refractivity
101.17
TPSA
101.23
LogP / Solubility
WLOGP
3.71
MLOGP
3.28
XLogP3
4
Consensus LogP
3.66
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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
Yes
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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