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CAS 21416-88-6 HEPARIN, SODIUM, LOW MOLECULAR WEIGHT molecular structure lightbox
CAS RN: 21416-88-6

HEPARIN, SODIUM, LOW MOLECULAR WEIGHT

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 1mg In stock Shanghai, Guangdong Inquiry
Batchno.20250613 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS21416-88-6
  • Purity/Analytical Methods: >99.0%
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21416-88-6 / 4-[(2S,3R)-3-(3,5-dioxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione

Standard CAS: 21416-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21416-88-6
Multi CAS
No
Molecular Formula
C12H18N4O4
Molecular Weight
282.300000
Exact Mass
282.132805
SMILES
C[C@H]([C@H](C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
InChI
InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)/t7-,8+
InChIKey
OBYGAPWKTPDTAS-OCAPTIKFSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
68.37
TPSA
98.82

LogP / Solubility

WLOGP
-2.32
MLOGP
-2.03
XLogP3
-1
Consensus LogP
-1.78
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.07
Class (SILICOS-IT)
Highly 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)
-6.09

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
2.5

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