CAS RN: 35723-81-0
isotridecylamine
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.20260116 | 500g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS35723-81-0
- Purity/Analytical Methods: >99.0%
35723-81-0 / 11-methyldodecan-1-amine
Basic Information
CAS
35723-81-0
Multi CAS
No
Molecular Formula
C13H29N
Molecular Weight
199.380000
Exact Mass
199.230000
InChI
InChI=1S/C13H29N/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13H,3-12,14H2,1-2H3
InChIKey
NGKIIKNJVVBNNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.45
TPSA
26.02
LogP / Solubility
WLOGP
4.11
MLOGP
3.62
XLogP3
5.5
Consensus LogP
4.41
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
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)
-1.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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