CAS RN: 86050-77-3
Gadopentetate dimeglumine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250720 | 100g | In stock | Shenzhen, Tianjin | Inquiry |
| Batchno.20250106 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251119 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250626 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260417 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250416 | 5g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS86050-77-3
- Purity/Analytical Methods: >99.0%
86050-77-3 / 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydron;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Basic Information
CAS
86050-77-3
Multi CAS
Yes
Molecular Formula
C21GdH36N4O15
Molecular Weight
741.800000
Exact Mass
742.141830
InChI
InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1
InChIKey
LGMLJQFQKXPRGA-VPVMAENOSA-K
Computed Properties
Structural Parameters
Heavy atom count
41
Fraction Csp3
0.76
Rotatable bonds
22
H-bond acceptors
19
H-bond donors
6
Molar refractivity
120.51
TPSA
323.55
LogP / Solubility
WLOGP
-12.6
MLOGP
-11.03
XLogP3
-12.6
Consensus LogP
-12.08
Log S (ESOL)
4.95
Class (ESOL)
Highly soluble
Log S (Ali)
3.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.34
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-16.19
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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- CAS RN: 86053-95-4
- Product Code: SSC-194857
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