![CAS 61471-43-0 4-[(METHOXYIMINO)METHYL]BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/61471-43-0.gif)
CAS RN: 61471-43-0
4-[(METHOXYIMINO)METHYL]BENZOIC 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.20250413 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS61471-43-0
- Purity/Analytical Methods: >99.0%
61471-43-0 / 4-(methoxyiminomethyl)benzoic acid
Basic Information
CAS
61471-43-0
Multi CAS
Yes
Molecular Formula
C9H9NO3
Molecular Weight
179.170000
Exact Mass
179.058243
InChI
InChI=1S/C9H9NO3/c1-13-10-6-7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H,11,12)/b10-6+
InChIKey
GOJYSIUTEMBHIG-UXBLZVDNSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48
TPSA
58.89
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
2.3
Consensus LogP
1.62
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 61476-45-7 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1S,3S,5Z)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/61476-45-7.gif)
