![CAS 1403257-81-7 Benzoic acid, 5-broMo-3-[ethyl(tetrahydro-2H-pyran-4-yl)aMino]-2-Methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403257-81-7.gif)
CAS RN: 1403257-81-7
Benzoic acid, 5-broMo-3-[ethyl(tetrahydro-2H-pyran-4-yl)aMino]-2-Methyl-
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.20260319 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-050879
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 | Shenzhen | Inquiry |
1403257-81-7 / 5-bromo-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoic acid
Basic Information
CAS
1403257-81-7
Multi CAS
No
Molecular Formula
C15H20BrNO3
Molecular Weight
342.230000
Exact Mass
341.062660
SMILES
CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)O)Br
InChI
InChI=1S/C15H20BrNO3/c1-3-17(12-4-6-20-7-5-12)14-9-11(16)8-13(10(14)2)15(18)19/h8-9,12H,3-7H2,1-2H3,(H,18,19)
InChIKey
IPITXYVHPYUULP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.7
TPSA
49.77
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
3.4
Consensus LogP
3.31
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1403461-06-2 Zirconium, octa-μ -hydroxyoctahydroxybis[μ-[4-[10,15,20-tris(4-carboxyphenyl)-21H,23H-porphin-5-yl]benzoato(4-)-κO:κO’]]hexa- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403461-06-2.gif)