CAS RN: 61489-71-2
HUMAN MENOPAUSAL GONADOTROPHIN
Product Availability
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6 package records6 with current stock2 grade groups
- Product code: starshine_CAS61489-71-2
- Purity/Analytical Methods: >99.0%
61489-71-2 / 6,6-dimethylheptanal
Basic Information
CAS
61489-71-2
Multi CAS
Yes
Molecular Formula
C9H18O
Molecular Weight
142.240000
Exact Mass
142.135765
InChI
InChI=1S/C9H18O/c1-9(2,3)7-5-4-6-8-10/h8H,4-7H2,1-3H3
InChIKey
CBUWTGCATVNMJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
43.99
TPSA
17.07
LogP / Solubility
WLOGP
2.79
MLOGP
2.45
XLogP3
3
Consensus LogP
2.75
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
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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