[email protected]
CAS 1021868-83-6 ARL 67156 molecular structure lightbox
CAS RN: 1021868-83-6

ARL 67156

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 1mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 1mg / 10mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1021868-83-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1021868-83-6 / trisodium;[dibromo-[[[(2R,3S,4S,5R)-5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]-hydroxyphosphinate

ARL 67156 | ARL-67156 | DTXSID301017960

Standard CAS: 1021868-83-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1021868-83-6
Multi CAS
Yes
Molecular Formula
C15H21Br2N5Na3O12P3
Molecular Weight
785.050000
Exact Mass
784.843890
SMILES
CCN(CC)C1=NC=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(C(P(=O)(O)[O-])(Br)Br)[O-])O)O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C15H24Br2N5O12P3.3Na/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27;;;/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27);;;/q;3*+1/p-3/t8-,10-,11+,14-;;;/m1.../s1
InChIKey
KJYSFRKUFDOOSQ-ZANJJFDZSA-K
Synonyms
ARL 67156 ARL-67156 DTXSID301017960 (dibromo-((((2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl)methyl)phosphonic acid [dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
11
H-bond acceptors
16
H-bond donors
3
Molar refractivity
127.47
TPSA
255.61

LogP / Solubility

WLOGP
-9.69
MLOGP
-8.46
XLogP3
-9.69
Consensus LogP
-9.28
Log S (ESOL)
1.96
Class (ESOL)
Highly soluble
Log S (Ali)
1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.96
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)
-14.39

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
7.5

Customers Also Viewed

Get In Touch

Contact Us