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CAS 23197-98-0 8-bromoguanosine triphosphate molecular structure lightbox
CAS RN: 23197-98-0

8-bromoguanosine triphosphate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS23197-98-0
  • Purity/Analytical Methods: >99.0%
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23197-98-0 / [[(2R,3S,4R,5R)-5-(2-amino-1-bromo-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Standard CAS: 23197-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23197-98-0
Multi CAS
No
Molecular Formula
C10H15BrN5O14P3
Molecular Weight
602.080000
Exact Mass
600.901170
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(N(C2=O)Br)N
InChI
InChI=1S/C10H15BrN5O14P3/c11-16-8(19)4-7(14-10(16)12)15(2-13-4)9-6(18)5(17)3(28-9)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-3,5-6,9,17-18H,1H2,(H2,12,14)(H,23,24)(H,25,26)(H2,20,21,22)/t3-,5-,6-,9-/m1/s1
InChIKey
LFZGZIRXCAZYFU-UUOKFMHZSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
15
H-bond donors
7
Molar refractivity
106.27
TPSA
288.24

LogP / Solubility

WLOGP
-1.7
MLOGP
-1.45
XLogP3
-4.8
Consensus LogP
-2.65
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-7.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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