![CAS 65081-75-6 METHYL 3-[(AMINOCARBONYL)AMINO]BENZOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/65081-75-6.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
65081-75-6 / methyl 3-(carbamoylamino)benzoate
Basic Information
CAS
65081-75-6
Multi CAS
No
Molecular Formula
C9H10N2O3
Molecular Weight
194.190000
Exact Mass
194.069142
InChI
InChI=1S/C9H10N2O3/c1-14-8(12)6-3-2-4-7(5-6)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
InChIKey
CANIDQGAPAHUJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.99
TPSA
81.42
LogP / Solubility
WLOGP
0.96
MLOGP
0.85
XLogP3
0.9
Consensus LogP
0.9
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 65092-19-5 1′-METHYL-3,5,6,7-TETRAHYDROSPIRO[IMIDAZO[4,5-C]PYRIDINE-4,4′-PIPERIDINE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/65092-19-5.gif)