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CAS 793035-88-8 AG-L-5968 molecular structure lightbox
CAS RN: 793035-88-8

AG-L-5968

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250331 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS793035-88-8
  • Purity/Analytical Methods: >99.0%
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793035-88-8 / 2-[8-[2-amino-6-[(4-bromothiophen-2-yl)methoxy]purin-9-yl]octoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 793035-88-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
793035-88-8
Multi CAS
Yes
Molecular Formula
BC24H34O7Rn5S
Molecular Weight
616.500000
Exact Mass
615.136230
InChI
InChI=1S/C24H34BrN5O7S/c25-14-9-15(38-12-14)11-36-22-17-21(28-24(26)29-22)30(13-27-17)7-5-3-1-2-4-6-8-35-23-20(34)19(33)18(32)16(10-31)37-23/h9,12-13,16,18-20,23,31-34H,1-8,10-11H2,(H2,26,28,29)
InChIKey
WAAZBVOGWRQLMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
14
H-bond acceptors
13
H-bond donors
5
Molar refractivity
143.51
TPSA
178.23

LogP / Solubility

WLOGP
1.97
MLOGP
1.78
XLogP3
2.1
Consensus LogP
1.95
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.08

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

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