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CAS 2280018-77-9 Gelatin Methacrylate (300 bloom, degree of substitution 60%) molecular structure lightbox
CAS RN: 2280018-77-9

Gelatin Methacrylate (300 bloom, degree of substitution 60%)

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250325 1g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: ICTG0594
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2280018-77-9 / sodium [[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate

Standard CAS: 2280018-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2280018-77-9
Multi CAS
No
Molecular Formula
C11H16N5NaO11P2
Molecular Weight
479.210000
Exact Mass
479.021925
SMILES
CN1C=[N+](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+]
InChI
InChI=1S/C11H17N5O11P2.Na/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22;/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
InChIKey
GWXMULHRNCYTBF-MCDZGGTQSA-M

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
5
Molar refractivity
86.33
TPSA
249.22

LogP / Solubility

WLOGP
-7.28
MLOGP
-6.38
XLogP3
-7.28
Consensus LogP
-6.98
Log S (ESOL)
1.95
Class (ESOL)
Highly soluble
Log S (Ali)
1.77
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.55
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)
-10.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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