CAS RN: 69975-69-5
AC-MET-ALPHA-NAPHTHYL ESTER
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.20250802 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS69975-69-5
- Purity/Analytical Methods: >99.0%
69975-69-5 / naphthalen-1-yl (2S)-2-acetamido-4-methylsulfanylbutanoate
Basic Information
CAS
69975-69-5
Multi CAS
Yes
Molecular Formula
C17H19NO3S
Molecular Weight
317.400000
Exact Mass
317.108565
InChI
InChI=1S/C17H19NO3S/c1-12(19)18-15(10-11-22-2)17(20)21-16-9-5-7-13-6-3-4-8-14(13)16/h3-9,15H,10-11H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKey
FGHRSVXVKOEYHM-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.19
TPSA
55.4
LogP / Solubility
WLOGP
3
MLOGP
2.66
XLogP3
3.2
Consensus LogP
2.95
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
-
tBuPO(NHiPr)2
- CAS RN: 600116-15-2
- Product Code: starshine_CAS600116-15-2
- Purity/Analytical method: >99.0%
-
3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propan-1-amine
- CAS RN: 69980-77-4
- Product Code: starshine_CAS69980-77-4
- Purity/Analytical method: >99.0%
-
2-(2H-BENZO[D][1,2,3]TRIAZOL-2-YL)ETHANAMINE
- CAS RN: 69980-83-2
- Product Code: starshine_CAS69980-83-2
- Purity/Analytical method: >99.0%
-
Bis-Tos-(2-hydroxyethyl disulfide)
- CAS RN: 69981-39-1
- Product Code: starshine_CAS69981-39-1
- Purity/Analytical method: >99.0%
-
2,3-Dihydro-alpha-hydroxy-5-benzofuranacetic acid
- CAS RN: 69999-15-1
- Product Code: SSC-179750
![CAS 69980-83-2 2-(2H-BENZO[D][1,2,3]TRIAZOL-2-YL)ETHANAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69980-83-2.gif)
