![CAS 1998705-64-8 L-Alanine, N-[[P(S),2’R]-2-amino-2′-deoxy-2′-fluoro-N,2′-dimethyl-P-phenyl-5′-adenylyl]-, 1-methylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1998705-64-8.gif)
CAS RN: 1998705-64-8
L-Alanine, N-[[P(S),2’R]-2-amino-2′-deoxy-2′-fluoro-N,2′-dimethyl-P-phenyl-5′-adenylyl]-, 1-methylethyl 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.20260619 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1998705-64-8
- Purity/Analytical Methods: >99.0%
1998705-64-8 / propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Basic Information
CAS
1998705-64-8
Multi CAS
No
Molecular Formula
C24H33FN7O7P
Molecular Weight
581.500000
Exact Mass
581.216312
SMILES
C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4
InChI
InChI=1S/C24H33FN7O7P/c1-13(2)37-21(34)14(3)31-40(35,39-15-9-7-6-8-10-15)36-11-16-18(33)24(4,25)22(38-16)32-12-28-17-19(27-5)29-23(26)30-20(17)32/h6-10,12-14,16,18,22,33H,11H2,1-5H3,(H,31,35)(H3,26,27,29,30)/t14-,16+,18+,22+,24+,40-/m0/s1
InChIKey
OISLSHLAXHALQZ-LZEIJKKFSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
15
Fraction Csp3
0.5
Rotatable bonds
11
H-bond acceptors
13
H-bond donors
4
Molar refractivity
143.17
TPSA
184.97
LogP / Solubility
WLOGP
2.57
MLOGP
2.31
XLogP3
1.7
Consensus LogP
2.19
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
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)
-4.44
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
-
JHU-083
- CAS RN: 1998725-11-3
- Product Code: starshine_CAS1998725-11-3
- Purity/Analytical method: >99.0%
-
TERT-BUTYL (3-BROMO-5-METHYLBENZYL)CARBAMATE
- CAS RN: 1998726-82-1
- Product Code: starshine_CAS1998726-82-1
- Purity/Analytical method: >99.0%
-
-
1-(5-hydroxy-2,4-dimethyl-phenyl)-ethanone
- CAS RN: 103323-25-7
- Product Code: starshine_CAS103323-25-7
- Purity/Analytical method: >99.0%
-
Tinuvin-1130
- CAS RN: 104810-48-2
- Product Code: starshine_CAS104810-48-2
- Purity/Analytical method: >99.0%
-
.gif)
