CAS RN: 382607-78-5
(2R,3R,4S,5S,6R)-2-((8-(2-aMino-6-((4-broMothiophen-2-yl)Methoxy)-9H-purin-9-yl)octyl)oxy)-6-(hydroxyMethyl)tetrahydro-2H-pyran-3,4,5-triol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250306 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS382607-78-5
- Purity/Analytical Methods: >99.0%
382607-78-5 / (2R,3R,4S,5S,6R)-2-[8-[2-amino-6-[(4-bromothiophen-2-yl)methoxy]purin-9-yl]octoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
382607-78-5
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)/t16-,18-,19+,20-,23-/m1/s1
InChIKey
WAAZBVOGWRQLMB-PUIBNRJISA-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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- Purity/Analytical method: >99.0%
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