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CAS 3768-14-7 ALPHA,BETA-METHYLENEADENOSINE 5′-DIPHOSPHATE molecular structure lightbox
CAS RN: 3768-14-7

ALPHA,BETA-METHYLENEADENOSINE 5′-DIPHOSPHATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250923 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: starshine_CAS3768-14-7
  • Purity/Analytical Methods: >99.0%
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3768-14-7 / [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

Standard CAS: 3768-14-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3768-14-7
Multi CAS
Yes
Molecular Formula
C11H17N5O9P2
Molecular Weight
425.230000
Exact Mass
425.050151
InChI
InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKey
OLCWZBFDIYXLAA-IOSLPCCCSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
6
Molar refractivity
88.35
TPSA
223.37

LogP / Solubility

WLOGP
-1.64
MLOGP
-1.41
XLogP3
-4.8
Consensus LogP
-2.62
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-6.47

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
5

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