CAS RN: 63326-63-6
rac 1-PalMitoyl-2-chloropropanediol
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS63326-63-6
- Purity/Analytical Methods: >99.0%
63326-63-6 / [(2S)-2-chloro-3-hydroxypropyl] hexadecanoate
Basic Information
CAS
63326-63-6
Multi CAS
Yes
Molecular Formula
C19H37CLO3
Molecular Weight
348.900000
Exact Mass
348.243123
InChI
InChI=1S/C19H37ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(20)16-21/h18,21H,2-17H2,1H3/t18-/m0/s1
InChIKey
DTLWIQAUSLOLCK-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.95
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
98
TPSA
46.53
LogP / Solubility
WLOGP
5.61
MLOGP
4.96
XLogP3
7.4
Consensus LogP
5.99
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87
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
3
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