![CAS 1351586-50-9 Heptadecanedioic acid, 9-[4-(dimethylamino)-1-oxobutoxy]-, 1,17-di-(2Z)-2-nonen-1-yl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1351586-50-9.gif)
CAS RN: 1351586-50-9
Heptadecanedioic acid, 9-[4-(dimethylamino)-1-oxobutoxy]-, 1,17-di-(2Z)-2-nonen-1-yl ester
Product Availability
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8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251007 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250207 | 10mg | In stock | Chongqing | Inquiry |
| Batchno.20250513 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250716 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260414 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250206 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250116 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250323 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1351586-50-9
- Purity/Analytical Methods: >99.0%
1351586-50-9 / bis[(Z)-non-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate
Basic Information
CAS
1351586-50-9
Multi CAS
No
Molecular Formula
C41H75NO6
Molecular Weight
678.000000
Exact Mass
677.559439
SMILES
CCCCCC/C=C\COC(=O)CCCCCCCC(OC(=O)CCCN(C)C)CCCCCCCC(=O)OC/C=C\CCCCCC
InChI
InChI=1S/C41H75NO6/c1-5-7-9-11-13-21-27-36-46-39(43)32-25-19-15-17-23-30-38(48-41(45)34-29-35-42(3)4)31-24-18-16-20-26-33-40(44)47-37-28-22-14-12-10-8-6-2/h21-22,27-28,38H,5-20,23-26,29-37H2,1-4H3/b27-21-,28-22-
InChIKey
DGNMJYUPWDTKJB-ZDSKVHJSSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Fraction Csp3
0.83
Rotatable bonds
35
H-bond acceptors
7
Molar refractivity
200.02
TPSA
82.14
LogP / Solubility
WLOGP
10.84
MLOGP
9.6
XLogP3
12.5
Consensus LogP
10.98
Log S (ESOL)
-8.56
Class (ESOL)
Insoluble
Log S (Ali)
-12.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.27
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.84
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
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![CAS 1351611-14-7 N-formyl-1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1351611-14-7.gif)
