![CAS 210534-16-0 5-[E-2-[N-[6-(TRIFLUOROACETAMIDO)HEXYL]CARBOXAMIDO]VINYL]-5′- O-(4,4′-DIMETHOXYTRITYL)-2′-DEOXYURIDINE, 3′-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/210534-16-0.gif)
CAS RN: 210534-16-0
5-[E-2-[N-[6-(TRIFLUOROACETAMIDO)HEXYL]CARBOXAMIDO]VINYL]-5′- O-(4,4′-DIMETHOXYTRITYL)-2′-DEOXYURIDINE, 3′-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITE
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.20250522 | 10mg / 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS210534-16-0
- Purity/Analytical Methods: >99.0%
210534-16-0 / (E)-3-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]prop-2-enamide
Basic Information
CAS
210534-16-0
Multi CAS
No
Molecular Formula
C50H62F3N6O10P
Molecular Weight
995.000000
Exact Mass
994.421714
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=O)NC5=O)/C=C/C(=O)NCCCCCCNC(=O)C(F)(F)F
InChI
InChI=1S/C50H62F3N6O10P/c1-34(2)59(35(3)4)70(67-30-14-27-54)69-42-31-45(58-32-36(46(61)57-48(58)63)17-26-44(60)55-28-12-7-8-13-29-56-47(62)50(51,52)53)68-43(42)33-66-49(37-15-10-9-11-16-37,38-18-22-40(64-5)23-19-38)39-20-24-41(65-6)25-21-39/h9-11,15-26,32,34-35,42-43,45H,7-8,12-14,28-31,33H2,1-6H3,(H,55,60)(H,56,62)(H,57,61,63)/b26-17+/t42-,43+,45+,70?/m0/s1
InChIKey
XHGOWDJUVKONLU-HAKODNTASA-N
Computed Properties
Structural Parameters
Heavy atom count
70
Aromatic heavy atom count
24
Fraction Csp3
0.46
Rotatable bonds
26
H-bond acceptors
13
H-bond donors
3
Molar refractivity
257.78
TPSA
195.47
LogP / Solubility
WLOGP
7.88
MLOGP
7.03
XLogP3
6.9
Consensus LogP
7.27
Log S (ESOL)
-9.51
Class (ESOL)
Insoluble
Log S (Ali)
-13.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.79
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)
-3.2
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
Customers Also Viewed
-
-
1,11b-Dihydro-11b-hydroxyMaackiain
- CAS RN: 210537-05-6
- Product Code: starshine_CAS210537-05-6
- Purity/Analytical method: >99.0%
-
2,6-BIS[1-(2-METHYLPHENYLIMINO)ETHYL]PYRIDINE
- CAS RN: 210537-32-9
- Product Code: SSC-100291
-
5,6,7,8-TETRAHYDRO-PYRIDO[4,3-D]PYRIMIDINE HYDROCHLORIDE
- CAS RN: 210538-68-4
- Product Code: SSC-100292
-
PYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 7,8-DIHYDRO-2-METHYL-, 1,1-DIMETHYLETHYL ESTER
- CAS RN: 210538-72-0
- Product Code: SSC-100293
-
6-BENZYL-3,4,5,6,7,8-HEXAHYDRO-1,6-NAPHTHYRIDIN-2(1H)-ONE
- CAS RN: 210539-03-0
- Product Code: SSC-100294
![CAS 210537-32-9 2,6-BIS[1-(2-METHYLPHENYLIMINO)ETHYL]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/210537-32-9.gif)
![CAS 210538-68-4 5,6,7,8-TETRAHYDRO-PYRIDO[4,3-D]PYRIMIDINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/210538-68-4.gif)
![CAS 210538-72-0 PYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 7,8-DIHYDRO-2-METHYL-, 1,1-DIMETHYLETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/210538-72-0.gif)
