CAS RN: 46917-20-8
2,2′-((4-vinylbenzyl) iMino)diacetic acid
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.20250724 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS46917-20-8
- Purity/Analytical Methods: >99.0%
46917-20-8 / 2-[carboxymethyl-[(4-ethenylphenyl)methyl]amino]acetic acid
Basic Information
CAS
46917-20-8
Multi CAS
No
Molecular Formula
C13H15NO4
Molecular Weight
249.260000
Exact Mass
249.100108
InChI
InChI=1S/C13H15NO4/c1-2-10-3-5-11(6-4-10)7-14(8-12(15)16)9-13(17)18/h2-6H,1,7-9H2,(H,15,16)(H,17,18)
InChIKey
UBGQOSNFVJFTLZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.08
TPSA
77.84
LogP / Solubility
WLOGP
1.3
MLOGP
1.15
XLogP3
-0.6
Consensus LogP
0.62
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
6-[methyl(phenylsulphonyl)amino]hexanoic acid
- CAS RN: 46948-72-5
- Product Code: starshine_CAS46948-72-5
- Purity/Analytical method: >99.0%
-
(S)-Boc-2-(3-hydroxyphenyl)glycine
- CAS RN: 46988-94-7
- Product Code: starshine_CAS46988-94-7
- Purity/Analytical method: >99.0%
-
Benzenemethanol, α-(1-aminoethyl)-3-(phenylmethoxy)-, [R-(R*,S*)]- (9CI)
- CAS RN: 47017-04-9
- Product Code: SSC-154072
-
-
![CAS 46948-72-5 6-[methyl(phenylsulphonyl)amino]hexanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/46948-72-5.gif)
![CAS 47017-04-9 Benzenemethanol, α-(1-aminoethyl)-3-(phenylmethoxy)-, [R-(R*,S*)]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/47017-04-9.gif)
