![CAS 27171-87-5 Methyl 2-[(DiMethylaMino)Methyl]benzoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/27171-87-5.gif)
CAS RN: 27171-87-5
Methyl 2-[(DiMethylaMino)Methyl]benzoate
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.20251114 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-126012
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.1g, 0.25g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
27171-87-5 / methyl 2-[(dimethylamino)methyl]benzoate
Basic Information
CAS
27171-87-5
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
CN(C)CC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C11H15NO2/c1-12(2)8-9-6-4-5-7-10(9)11(13)14-3/h4-7H,8H2,1-3H3
InChIKey
CSESFGWHSGKBDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
55.17
TPSA
29.54
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
2.2
Consensus LogP
1.69
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.81
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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