CAS RN: 149003-01-0
Dexrazoxane hydrochloride
Product Availability
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4 package records4 with current stock2 grade groups
- Product code: starshine_CAS149003-01-0
- Purity/Analytical Methods: >99.0%
149003-01-0 / 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;hydrochloride
Basic Information
CAS
149003-01-0
Multi CAS
No
Molecular Formula
C11H17ClN4O4
Molecular Weight
304.730000
Exact Mass
304.093833
SMILES
C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2.Cl
InChI
InChI=1S/C11H16N4O4.ClH/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1H/t7-;/m0./s1
InChIKey
BIFMNMPSIYHKDN-FJXQXJEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
71.02
TPSA
98.82
LogP / Solubility
WLOGP
-2.29
MLOGP
-2
XLogP3
-2.29
Consensus LogP
-2.19
Log S (ESOL)
-0.09
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
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)
-6.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 149005-33-4 Ir(Mppy)3 , Tris[2-(p-tolyl)pyridine]iridiuM(III) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149005-33-4.gif)
