CAS RN: 6076-38-6
2,3-bis(octadecyloxy)propan-1-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260606 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS6076-38-6
- Purity/Analytical Methods: >99.0%
6076-38-6 / 2,3-dioctadecoxypropan-1-ol
Basic Information
CAS
6076-38-6
Multi CAS
Yes
Molecular Formula
C39H80O3
Molecular Weight
597.000000
Exact Mass
596.610746
InChI
InChI=1S/C39H80O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-38-39(37-40)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-38H2,1-2H3
InChIKey
QEHCYTDFERPPPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Fraction Csp3
1
Rotatable bonds
38
H-bond acceptors
3
H-bond donors
1
Molar refractivity
186.74
TPSA
38.69
LogP / Solubility
WLOGP
12.9
MLOGP
11.4
XLogP3
17
Consensus LogP
13.77
Log S (ESOL)
-9.16
Class (ESOL)
Insoluble
Log S (Ali)
-13.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.81
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)
2.8
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
-
(R)-3-AMINO-BUTYRIC ACID METHYL ESTER
- CAS RN: 6078-06-4
- Product Code: starshine_CAS6078-06-4
- Purity/Analytical method: >99.0%
-
METHYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
- CAS RN: 6082-04-8
- Product Code: starshine_CAS6082-04-8
- Purity/Analytical method: >99.0%
-
-
-
2-CHLORO-N-(4-P-TOLYL-THIAZOL-2-YL)-ACETAMIDE
- CAS RN: 6081-87-4
- Product Code: starshine_CAS6081-87-4
- Purity/Analytical method: >99.0%
