[email protected]
CAS 142246-63-7 5′-O-(4,4′-DIMETHOXYTRITYL)-5-FLUORODEOXYURIDINE-3′-(2-CYANOETHYL-N,N-DIISOPROPYL)PHOSPHORAMIDITE molecular structure lightbox
CAS RN: 142246-63-7

5′-O-(4,4′-DIMETHOXYTRITYL)-5-FLUORODEOXYURIDINE-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.20260325 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS142246-63-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

142246-63-7 / 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Standard CAS: 142246-63-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
142246-63-7
Multi CAS
No
Molecular Formula
C39H46FN4O8P
Molecular Weight
748.800000
Exact Mass
748.303730
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)F
InChI
InChI=1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-22-10-21-41)52-34-23-36(43-24-33(40)37(45)42-38(43)46)51-35(34)25-49-39(28-11-8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-30/h7-9,11-20,24,26-27,34-36H,10,22-23,25H2,1-6H3,(H,42,45,46)/t34-,35+,36+,53?/m0/s1
InChIKey
QXDBDJDCIBKCKF-QMTPQUJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
24
Fraction Csp3
0.41
Rotatable bonds
17
H-bond acceptors
11
H-bond donors
1
Molar refractivity
198.16
TPSA
137.27

LogP / Solubility

WLOGP
6.65
MLOGP
5.92
XLogP3
5.6
Consensus LogP
6.06
Log S (ESOL)
-7.89
Class (ESOL)
Insoluble
Log S (Ali)
-10.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.09
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)
-2.57

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us