CAS RN: 619-38-5
Nonanoic acid,2-heptyl-
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.20250521 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS619-38-5
- Purity/Analytical Methods: >99.0%
619-38-5 / 2-heptylnonanoic acid
Basic Information
CAS
619-38-5
Multi CAS
Yes
Molecular Formula
C16H32O2
Molecular Weight
256.420000
Exact Mass
256.240230
InChI
InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15(16(17)18)14-12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
InChIKey
QMTHILFALDMACK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.94
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.88
TPSA
37.3
LogP / Solubility
WLOGP
5.41
MLOGP
4.77
XLogP3
6.4
Consensus LogP
5.53
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.38
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.44
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
1.5
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- CAS RN: 620-11-1
- Product Code: starshine_CAS620-11-1
- Purity/Analytical method: >99.0%
