CAS RN: 132069-10-4
“(CH3CH2CH2CH2NH3)2PbI4(BA2PbI4)”
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS132069-10-4
- Purity/Analytical Methods: >99.0%
132069-10-4 / [5-(5-amino-4-carbamoylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Basic Information
CAS
132069-10-4
Multi CAS
No
Molecular Formula
C9H15N4O8P
Molecular Weight
338.210000
Exact Mass
338.062750
SMILES
C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N
InChI
InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)
InChIKey
NOTGFIUVDGNKRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
6
Molar refractivity
69.08
TPSA
203.38
LogP / Solubility
WLOGP
-2.71
MLOGP
-2.37
XLogP3
-3.8
Consensus LogP
-2.96
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-6.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5
Customers Also Viewed
-
-
-
Cyclopentanecarboxylic acid, 3-oxo-, methyl ester, (R)- (9CI)
- CAS RN: 132076-27-8
- Product Code: SSC-039102
-
Cyclopentanecarboxylic acid, 3-oxo-, methyl ester, (S)- (9CI)
- CAS RN: 132076-32-5
- Product Code: SSC-039103
-
2-P-TOLYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 132089-32-8
- Product Code: SSC-039105
-
2-M-TOLYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 132089-33-9
- Product Code: SSC-039106
