CAS RN: 21802-37-9
CAERULOMYCIN A
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.20250906 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS21802-37-9
- Purity/Analytical Methods: >99.0%
21802-37-9 / (NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
Basic Information
CAS
21802-37-9
Multi CAS
No
Molecular Formula
C12H11N3O2
Molecular Weight
229.230000
Exact Mass
229.085127
SMILES
COC1=CC(=NC(=C1)C2=CC=CC=N2)/C=N/O
InChI
InChI=1S/C12H11N3O2/c1-17-10-6-9(8-14-16)15-12(7-10)11-4-2-3-5-13-11/h2-8,16H,1H3/b14-8+
InChIKey
JCTRJRHLGOKMCF-RIYZIHGNSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.4
TPSA
67.6
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
1.5
Consensus LogP
1.73
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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