CAS RN: 1234490-83-5
N-(2′-C-Methyl-6-O-Methyl-P-1-naphthalenyl-5′-guanylyl)-L-alanine 2,2-diMethylpropyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250906 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1234490-83-5
- Purity/Analytical Methods: >99.0%
1234490-83-5 / 2,2-dimethylpropyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
Basic Information
CAS
1234490-83-5
Multi CAS
No
Molecular Formula
C30H39N6O9P
Molecular Weight
658.600000
Exact Mass
658.251614
SMILES
C[C@@H](C(=O)OCC(C)(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=NC3=C2N=C(N=C3OC)N)(C)O)O)OC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C30H39N6O9P/c1-17(26(38)42-15-29(2,3)4)35-46(40,45-20-13-9-11-18-10-7-8-12-19(18)20)43-14-21-23(37)30(5,39)27(44-21)36-16-32-22-24(36)33-28(31)34-25(22)41-6/h7-13,16-17,21,23,27,37,39H,14-15H2,1-6H3,(H,35,40)(H2,31,33,34)/t17-,21+,23+,27+,30+,46?/m0/s1
InChIKey
YFXGICNMLCGLHJ-RSKRLRQZSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
19
Fraction Csp3
0.47
Rotatable bonds
11
H-bond acceptors
14
H-bond donors
4
Molar refractivity
167.97
TPSA
202.4
LogP / Solubility
WLOGP
3.35
MLOGP
3
XLogP3
2.8
Consensus LogP
3.05
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.36
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
8
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