![CAS 172494-27-8 2-[(4-Hydroxybutyl)Amino]Acetic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/172494-27-8.gif)
CAS RN: 172494-27-8
2-[(4-Hydroxybutyl)Amino]Acetic 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.20251106 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS172494-27-8
- Purity/Analytical Methods: >99.0%
172494-27-8 / 2-(4-hydroxybutylamino)acetic acid
Basic Information
CAS
172494-27-8
Multi CAS
No
Molecular Formula
C6H13NO3
Molecular Weight
147.170000
Exact Mass
147.089543
SMILES
C(CCO)CNCC(=O)O
InChI
InChI=1S/C6H13NO3/c8-4-2-1-3-7-5-6(9)10/h7-8H,1-5H2,(H,9,10)
InChIKey
HXMLCZPKTGULRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.83
TPSA
69.56
LogP / Solubility
WLOGP
-0.57
MLOGP
-0.51
XLogP3
-2.9
Consensus LogP
-1.33
Class (ESOL)
Highly soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-(3-THIENYL)BENZONITRILE
- CAS RN: 172507-33-4
- Product Code: starshine_CAS172507-33-4
- Purity/Analytical method: >99.0%
-
4-cyano-trans-beta-styrylboronic acid pinacol ester
- CAS RN: 172512-93-5
- Product Code: SSC-075830
-
ETHYL 3-(ALLYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
- CAS RN: 172516-32-4
- Product Code: starshine_CAS172516-32-4
- Purity/Analytical method: >99.0%
-
ETHYL 3-(BUTYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
- CAS RN: 172516-33-5
- Product Code: starshine_CAS172516-33-5
- Purity/Analytical method: >99.0%
-
-
Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate
- CAS RN: 172527-71-8
- Product Code: starshine_CAS172527-71-8
- Purity/Analytical method: >99.0%
![CAS 172516-32-4 ETHYL 3-(ALLYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/172516-32-4.gif)
![CAS 172516-33-5 ETHYL 3-(BUTYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/172516-33-5.gif)
![CAS 172527-71-8 Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3957884.gif)