Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
4250-38-8 / nonacosanoic acid
Basic Information
CAS
4250-38-8
Multi CAS
No
Molecular Formula
C29H58O2
Molecular Weight
438.800000
Exact Mass
438.443681
InChI
InChI=1S/C29H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H,30,31)
InChIKey
IHEJEKZAKSNRLY-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.97
Rotatable bonds
27
H-bond acceptors
1
H-bond donors
1
Molar refractivity
137.97
TPSA
37.3
LogP / Solubility
WLOGP
10.62
MLOGP
9.38
XLogP3
13.4
Consensus LogP
11.13
Log S (ESOL)
-7.47
Class (ESOL)
Insoluble
Log S (Ali)
-10.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.57
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
Yes
Log Kp (skin permeation)
2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
Octacosanoic Acid
- CAS RN: 506-48-9
- Product Code: ICTM1342
- Purity/Analytical method: >98.0%(T)
-
-
-
-
