CAS RN: 1094089-46-9
Phenylephrine USP RC G
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.20260413 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1094089-46-9
- Purity/Analytical Methods: >99.0%
1094089-46-9 / 2-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]acetic acid
2IN8GX3EDM | UNII-2IN8GX3EDM | N-[(2R)-2-Hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methyl-glycine
Basic Information
CAS
1094089-46-9
Multi CAS
No
Molecular Formula
C11H15NO4
Molecular Weight
225.240000
Exact Mass
225.100108
SMILES
CN(C[C@@H](C1=CC(=CC=C1)O)O)CC(=O)O
InChI
InChI=1S/C11H15NO4/c1-12(7-11(15)16)6-10(14)8-3-2-4-9(13)5-8/h2-5,10,13-14H,6-7H2,1H3,(H,15,16)/t10-/m0/s1
InChIKey
HIYGSKMMSXCQJE-JTQLQIEISA-N
Synonyms
2IN8GX3EDM
UNII-2IN8GX3EDM
N-[(2R)-2-Hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methyl-glycine
2-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]acetic acid
(R)-N-(2-Hydroxy-2-(3-hydroxyphenyl)ethyl)-N-methylglycine
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
58.2
TPSA
81
LogP / Solubility
WLOGP
0.44
MLOGP
0.39
XLogP3
-1.9
Consensus LogP
-0.36
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-3.78
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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