CAS RN: 1269634-11-8
Methyl 3-amino-3-(3-methoxyphenyl)propanoate hydrochloride
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.20251101 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM901092
1269634-11-8 / methyl 3-amino-3-(3-methoxyphenyl)propanoate;hydrochloride
Basic Information
CAS
1269634-11-8
Multi CAS
No
Molecular Formula
C11H16ClNO3
Molecular Weight
245.700000
Exact Mass
245.081871
SMILES
COC1=CC=CC(=C1)C(CC(=O)OC)N.Cl
InChI
InChI=1S/C11H15NO3.ClH/c1-14-9-5-3-4-8(6-9)10(12)7-11(13)15-2;/h3-6,10H,7,12H2,1-2H3;1H
InChIKey
NVKLERNXNLLGLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.8
TPSA
61.55
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1.68
Consensus LogP
1.61
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
3-Amino-3-(4-fluoronaphthalen-1-yl)propanoic acid hydrochloride
- CAS RN: 1810070-00-8
- Product Code: LINA901320
-
3-Amino-3-(4-bromo-3-fluorophenyl)propanoic acid hydrochloride
- CAS RN: 2061980-53-6
- Product Code: LINA901706
-
-
-
-
Methyl 2-aMino-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzoate
- CAS RN: 1198615-60-9
- Product Code: SSC-020653
