CAS RN: 2101242-86-6
Lead(Ii) Iodide/Methylammonium Iodide(1:1)-Dmf Complex
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: starshine_CAS2101242-86-6
- Purity/Analytical Methods: >99.0%
2101242-86-6 / diiodolead;N,N-dimethylformamide;methanamine;hydroiodide
Basic Information
CAS
2101242-86-6
Multi CAS
No
Molecular Formula
C4H13I3N2OPb
Molecular Weight
693.000000
Exact Mass
693.792900
SMILES
CN.CN(C)C=O.I.I[Pb]I
InChI
InChI=1S/C3H7NO.CH5N.3HI.Pb/c1-4(2)3-5;1-2;;;;/h3H,1-2H3;2H2,1H3;3*1H;/q;;;;;+2/p-2
InChIKey
IIKNKNLFTTZWDO-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.07
TPSA
46.33
LogP / Solubility
WLOGP
1.29
MLOGP
1.19
XLogP3
1.29
Consensus LogP
1.26
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.03
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
Customers Also Viewed
-
AZD-0284
- CAS RN: 2101291-07-8
- Product Code: starshine_CAS2101291-07-8
- Purity/Analytical method: >99.0%
-
-
Gboxin
- CAS RN: 2101315-36-8
- Product Code: starshine_CAS2101315-36-8
- Purity/Analytical method: >99.0%
-
S-GBOXIN
- CAS RN: 2101317-21-7
- Product Code: starshine_CAS2101317-21-7
- Purity/Analytical method: >99.0%
-
1-Piperidinecarboxylic acid, 3-amino-5-hydroxy-, 1,1-dimethylethyl ester, (3R,5R)-rel-
- CAS RN: 2101332-43-6
- Product Code: SSC-099927
-
tert-Butyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptan-7-ylcarbamate
- CAS RN: 2101335-28-6
- Product Code: SSC-099928
![CAS 2101335-28-6 tert-Butyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptan-7-ylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2101335-28-6.png)