CAS RN: 19117-92-1
2-chloro Palmitic 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.20260306 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS19117-92-1
- Purity/Analytical Methods: >99.0%
19117-92-1 / 2-chlorohexadecanoic acid
Basic Information
CAS
19117-92-1
Multi CAS
No
Molecular Formula
C16H31ClO2
Molecular Weight
290.900000
Exact Mass
290.201258
SMILES
CCCCCCCCCCCCCCC(C(=O)O)Cl
InChI
InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
InChIKey
LDQUHRSWFMWRNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
82.97
TPSA
37.3
LogP / Solubility
WLOGP
5.77
MLOGP
5.09
XLogP3
7.7
Consensus LogP
6.19
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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