CAS RN: 80667-36-3
12-Azidododecanoic acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS80667-36-3
- Purity/Analytical Methods: >99.0%
80667-36-3 / 12-azidododecanoic acid
Basic Information
CAS
80667-36-3
Multi CAS
Yes
Molecular Formula
C12H23N3O2
Molecular Weight
241.330000
Exact Mass
241.179027
InChI
InChI=1S/C12H23N3O2/c13-15-14-11-9-7-5-3-1-2-4-6-8-10-12(16)17/h1-11H2,(H,16,17)
InChIKey
HYSGAVCDGKGYSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.82
TPSA
86.06
LogP / Solubility
WLOGP
4.28
MLOGP
3.77
XLogP3
4.9
Consensus LogP
4.32
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
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)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
L-THREONINE-15N
- CAS RN: 80681-09-0
- Product Code: starshine_CAS80681-09-0
- Purity/Analytical method: >99.0%
-
-
5-O-METHYLVISAMMINOL
- CAS RN: 80681-42-1
- Product Code: starshine_CAS80681-42-1
- Purity/Analytical method: >99.0%
-
SEC-O-GLUCOSYLHAMAUDOL
- CAS RN: 80681-44-3
- Product Code: starshine_CAS80681-44-3
- Purity/Analytical method: >99.0%
-
-
