[email protected]
CAS 185246-32-6 RP-8-BROMO-BETA-PHENYL-1,N2-ETHENOGUANOSINE 3′,5′-CYCLIC MONOPHOSPHOROTHIOATE SODIUM SALT HYDRATE molecular structure lightbox
CAS RN: 185246-32-6

RP-8-BROMO-BETA-PHENYL-1,N2-ETHENOGUANOSINE 3′,5′-CYCLIC MONOPHOSPHOROTHIOATE SODIUM SALT HYDRATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251001 1mg Out of stock Inquiry
  • Product code: starshine_CAS185246-32-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

185246-32-6 / sodium;3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one;hydrate

Standard CAS: 185246-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185246-32-6
Multi CAS
No
Molecular Formula
C18H16BrN5NaO7PS
Molecular Weight
580.300000
Exact Mass
578.958910
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)N5C=C(NC5=N4)C6=CC=CC=C6)N=C3Br)O)OP(=S)(O1)[O-].O.[Na+]
InChI
InChI=1S/C18H15BrN5O6PS.Na.H2O/c19-17-21-11-14(24(17)16-12(25)13-10(29-16)7-28-31(27,32)30-13)22-18-20-9(6-23(18)15(11)26)8-4-2-1-3-5-8;;/h1-6,10,12-13,16,25H,7H2,(H,20,22)(H,27,32);;1H2/q;+1;/p-1/t10-,12-,13-,16-,31?;;/m1../s1
InChIKey
PNUXBFRWMZKKAJ-IPZAVTHYSA-M

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
2
H-bond acceptors
11
H-bond donors
2
Molar refractivity
120.88
TPSA
170.46

LogP / Solubility

WLOGP
-2.76
MLOGP
-2.38
XLogP3
-2.76
Consensus LogP
-2.63
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-8.22

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
6.5

Customers Also Viewed

Get In Touch

Contact Us