[email protected]
CAS 121767-97-3 5′-O-(4,4′-DIMETHOXYTRITYL)-N2-DIMETHYLAMINOMETHYLENE-7-DEAZA-2′-DEOXYGUANOSINE, 3′-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITE molecular structure lightbox
CAS RN: 121767-97-3

5′-O-(4,4′-DIMETHOXYTRITYL)-N2-DIMETHYLAMINOMETHYLENE-7-DEAZA-2′-DEOXYGUANOSINE, 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.PackageAvailabilityLead TimeInquiry
Batchno.20251026 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS121767-97-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

121767-97-3 / N'-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide

Standard CAS: 121767-97-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121767-97-3
Multi CAS
No
Molecular Formula
C44H54N7O7P
Molecular Weight
823.900000
Exact Mass
823.382234
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=CC6=C5N=C(NC6=O)/N=C/N(C)C
InChI
InChI=1S/C44H54N7O7P/c1-30(2)51(31(3)4)59(56-26-12-24-45)58-38-27-40(50-25-23-37-41(50)47-43(48-42(37)52)46-29-49(5)6)57-39(38)28-55-44(32-13-10-9-11-14-32,33-15-19-35(53-7)20-16-33)34-17-21-36(54-8)22-18-34/h9-11,13-23,25,29-31,38-40H,12,26-28H2,1-8H3,(H,47,48,52)/b46-29+/t38-,39+,40+,59?/m0/s1
InChIKey
HBENOWJVIKVUGF-OLQNVDSXSA-N

Computed Properties

Structural Parameters

Heavy atom count
59
Aromatic heavy atom count
27
Fraction Csp3
0.41
Rotatable bonds
19
H-bond acceptors
12
H-bond donors
1
Molar refractivity
229.07
TPSA
148.69

LogP / Solubility

WLOGP
7.92
MLOGP
7.04
XLogP3
5.8
Consensus LogP
6.92
Log S (ESOL)
-9.02
Class (ESOL)
Insoluble
Log S (Ali)
-12.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

Customers Also Viewed

Get In Touch

Contact Us