![CAS 2351906-74-4 Hydrazinecarboxamide, 2-[1-(2,4-dihydroxy-3-methylphenyl)propylidene]-N-[(3-hydroxyphenyl)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2351906-74-4.gif)
CAS RN: 2351906-74-4
Hydrazinecarboxamide, 2-[1-(2,4-dihydroxy-3-methylphenyl)propylidene]-N-[(3-hydroxyphenyl)methyl]-
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251122 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2351906-74-4
- Purity/Analytical Methods: >99.0%
2351906-74-4 / 1-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]-3-[(3-hydroxyphenyl)methyl]urea
Basic Information
CAS
2351906-74-4
Multi CAS
No
Molecular Formula
C18H21N3O4
Molecular Weight
343.400000
Exact Mass
343.153206
SMILES
CC/C(=N\NC(=O)NCC1=CC(=CC=C1)O)/C2=C(C(=C(C=C2)O)C)O
InChI
InChI=1S/C18H21N3O4/c1-3-15(14-7-8-16(23)11(2)17(14)24)20-21-18(25)19-10-12-5-4-6-13(22)9-12/h4-9,22-24H,3,10H2,1-2H3,(H2,19,21,25)/b20-15+
InChIKey
FBCPIOAXERAOIA-HMMYKYKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
5
Molar refractivity
94.81
TPSA
114.18
LogP / Solubility
WLOGP
2.73
MLOGP
2.42
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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