[email protected]
CAS 171486-62-7 5′-O-DMT-2′-O-propynyluridine 3′-CE phosphoramidite molecular structure lightbox
CAS RN: 171486-62-7

5′-O-DMT-2′-O-propynyluridine 3′-CE 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.20260322 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS171486-62-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

171486-62-7 / 3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-prop-2-ynoxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Standard CAS: 171486-62-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
171486-62-7
Multi CAS
No
Molecular Formula
C42H49N4O9P
Molecular Weight
784.800000
Exact Mass
784.323716
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OCC#C)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C42H49N4O9P/c1-8-26-51-39-38(55-56(53-27-12-24-43)46(29(2)3)30(4)5)36(54-40(39)45-25-23-37(47)44-41(45)48)28-52-42(31-13-10-9-11-14-31,32-15-19-34(49-6)20-16-32)33-17-21-35(50-7)22-18-33/h1,9-11,13-23,25,29-30,36,38-40H,12,26-28H2,2-7H3,(H,44,47,48)/t36-,38-,39-,40-,56?/m1/s1
InChIKey
SKUHDLBLPLSZJC-CYSIDSPMSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
24
Fraction Csp3
0.4
Rotatable bonds
19
H-bond acceptors
12
H-bond donors
1
Molar refractivity
212.16
TPSA
146.5

LogP / Solubility

WLOGP
6.14
MLOGP
5.47
XLogP3
5
Consensus LogP
5.54
Log S (ESOL)
-7.64
Class (ESOL)
Insoluble
Log S (Ali)
-10.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.14
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)
-3.15

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

Get In Touch

Contact Us