CAS RN: 1616115-25-3
CH(NH2)2PbICl2, Formamidinium Lead Chloride Iodide
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS1616115-25-3
- Purity/Analytical Methods: >99.0%
1616115-25-3 / (1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-2-yl) acetate
Basic Information
CAS
1616115-25-3
Multi CAS
No
Molecular Formula
C22H34O3
Molecular Weight
346.500000
Exact Mass
346.250795
SMILES
CC1=CCCC(=CC=C(CC(C2(C(O2)CC1)C)OC(=O)C)C(C)C)C
InChI
InChI=1S/C22H34O3/c1-15(2)19-12-10-16(3)8-7-9-17(4)11-13-20-22(6,25-20)21(14-19)24-18(5)23/h9-10,12,15,20-21H,7-8,11,13-14H2,1-6H3
InChIKey
DGDSKYGEKMVUCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.68
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
102.35
TPSA
38.83
LogP / Solubility
WLOGP
5.51
MLOGP
4.87
XLogP3
4.3
Consensus LogP
4.89
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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