![CAS 83982-06-3 2-[(1-OXOHEXADECYL)AMINO]ETHANESULFONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83982-06-3.gif)
CAS RN: 83982-06-3
2-[(1-OXOHEXADECYL)AMINO]ETHANESULFONIC 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.20260510 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS83982-06-3
- Purity/Analytical Methods: >99.0%
83982-06-3 / 2-(hexadecanoylamino)ethanesulfonic acid
Basic Information
CAS
83982-06-3
Multi CAS
Yes
Molecular Formula
C18H37NO4S
Molecular Weight
363.600000
Exact Mass
363.244330
InChI
InChI=1S/C18H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17-24(21,22)23/h2-17H2,1H3,(H,19,20)(H,21,22,23)
InChIKey
LPDJCYFKKSLKRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.94
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
2
Molar refractivity
99.74
TPSA
83.47
LogP / Solubility
WLOGP
4.47
MLOGP
3.95
XLogP3
5.8
Consensus LogP
4.74
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.77
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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