[email protected]
CAS 15717-45-0 2′,3′,5-TRI-O-ACETYL-8-BROMOGUANOSINE molecular structure lightbox
CAS RN: 15717-45-0

2′,3′,5-TRI-O-ACETYL-8-BROMOGUANOSINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260328 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS15717-45-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

15717-45-0 / [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate

Standard CAS: 15717-45-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15717-45-0
Multi CAS
No
Molecular Formula
C16H18BrN5O8
Molecular Weight
488.250000
Exact Mass
487.033880
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)N=C2Br)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H18BrN5O8/c1-5(23)27-4-8-10(28-6(2)24)11(29-7(3)25)14(30-8)22-12-9(19-15(22)17)13(26)21-16(18)20-12/h8,10-11,14H,4H2,1-3H3,(H3,18,20,21,26)/t8-,10-,11-,14-/m1/s1
InChIKey
JLZCAXCVNVVXJL-IDTAVKCVSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
2
Molar refractivity
101.91
TPSA
177.72

LogP / Solubility

WLOGP
-0.21
MLOGP
-0.15
XLogP3
-0.5
Consensus LogP
-0.29
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-5.85

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
4.5

Customers Also Viewed

Get In Touch

Contact Us