CAS RN: 2102410-29-5
METHYL 1-AMINO-2,3-DIHYDRO-1H-INDENE-4-CARBOXYLATE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-100032
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
2102410-29-5 / methyl 1-amino-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride
Basic Information
CAS
2102410-29-5
Multi CAS
No
Molecular Formula
C11H14ClNO2
Molecular Weight
227.690000
Exact Mass
227.071306
SMILES
COC(=O)C1=CC=CC2=C1CCC2N.Cl
InChI
InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-4-2-3-8-7(9)5-6-10(8)12;/h2-4,10H,5-6,12H2,1H3;1H
InChIKey
KQXATEZZJUKUGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.28
TPSA
52.32
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 2102410-88-6 (3R)-4-FLUORO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2102410-88-6.png)
