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CAS 21078-81-9 2-BUTYL-1-DECANOL molecular structure lightbox
CAS RN: 21078-81-9

2-BUTYL-1-DECANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251109 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS21078-81-9
  • Purity/Analytical Methods: >99.0%
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21078-81-9 / 2-butyldecan-1-ol

Standard CAS: 21078-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21078-81-9
Multi CAS
No
Molecular Formula
C14H30O
Molecular Weight
214.390000
Exact Mass
214.229666
SMILES
CCCCCCCCC(CCCC)CO
InChI
InChI=1S/C14H30O/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h14-15H,3-13H2,1-2H3
InChIKey
FAOVRYZLXQUFRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.09
TPSA
20.23

LogP / Solubility

WLOGP
4.54
MLOGP
3.99
XLogP3
5.9
Consensus LogP
4.81
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble

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)
-0.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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