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CAS 1604-34-8 6,10-dimethylundecan-2-one molecular structure lightbox
CAS RN: 1604-34-8

6,10-dimethylundecan-2-one

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250820 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250203 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS1604-34-8
  • Purity/Analytical Methods: >99.0%
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1604-34-8 / 6,10-dimethylundecan-2-one

Standard CAS: 1604-34-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1604-34-8
Multi CAS
No
Molecular Formula
C13H26O
Molecular Weight
198.340000
Exact Mass
198.198365
SMILES
CC(C)CCCC(C)CCCC(=O)C
InChI
InChI=1S/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3
InChIKey
RBGLEUBCAJNCTR-UHFFFAOYSA-N

Physical Properties

Physical Description
Viscous liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
62.39
TPSA
17.07

LogP / Solubility

WLOGP
4.21
MLOGP
3.7
XLogP3
4.5
Consensus LogP
4.14
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble

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)
-0.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (93%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (93%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501

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