CAS RN: 101342-76-1
BIS(1-BUTYLPENTYL) DECANE-1,10-DIYL DIGLUTARATE
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.20260202 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS101342-76-1
- Purity/Analytical Methods: >99.0%
101342-76-1 / 5-O-nonan-5-yl 1-O-[10-(5-nonan-5-yloxy-5-oxopentanoyl)oxydecyl] pentanedioate
Bis(1-butylpentyl)decane-1,10-diyl diglutarate | bis(1-butylpentyl) decane-1,10-diyl diglutarate | 5-O-nonan-5-yl 1-O-[10-(5-nonan-5-yloxy-5-oxopentanoyl)oxydecyl] pentanedioate
Basic Information
CAS
101342-76-1
Multi CAS
Yes
Molecular Formula
C38H70O8
Molecular Weight
655.000000
Exact Mass
654.507069
SMILES
CCCCC(CCCC)OC(=O)CCCC(=O)OCCCCCCCCCCOC(=O)CCCC(=O)OC(CCCC)CCCC
InChI
InChI=1S/C38H70O8/c1-5-9-23-33(24-10-6-2)45-37(41)29-21-27-35(39)43-31-19-17-15-13-14-16-18-20-32-44-36(40)28-22-30-38(42)46-34(25-11-7-3)26-12-8-4/h33-34H,5-32H2,1-4H3
InChIKey
AAEJKGTZDCFBEA-UHFFFAOYSA-N
Synonyms
Bis(1-butylpentyl)decane-1,10-diyl diglutarate
bis(1-butylpentyl) decane-1,10-diyl diglutarate
5-O-nonan-5-yl 1-O-[10-(5-nonan-5-yloxy-5-oxopentanoyl)oxydecyl] pentanedioate
5-[11-butyl-10-(4-carboxylatobutanoyloxy)-10-nonan-5-ylpentadecoxy]-5-oxopentanoate
SCHEMBL31298119
Computed Properties
Structural Parameters
Heavy atom count
46
Fraction Csp3
0.89
Rotatable bonds
33
H-bond acceptors
8
Molar refractivity
184.42
TPSA
105.2
LogP / Solubility
WLOGP
10.12
MLOGP
8.96
XLogP3
11.1
Consensus LogP
10.06
Log S (ESOL)
-8.1
Class (ESOL)
Insoluble
Log S (Ali)
-12.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.28
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.47
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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