[email protected]
CAS 166593-57-3 5′-O-DMT-N4-Benzoyl-5-methyl-2′-O-methylcytidine 3′-CE phosphoramidite molecular structure lightbox
CAS RN: 166593-57-3

5′-O-DMT-N4-Benzoyl-5-methyl-2′-O-methylcytidine 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.20260101 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-072709
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 166593-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

166593-57-3 / N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide

Standard CAS: 166593-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
166593-57-3
Multi CAS
No
Molecular Formula
C48H56N5O9P
Molecular Weight
878.000000
Exact Mass
877.381565
SMILES
CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)OC
InChI
InChI=1S/C48H56N5O9P/c1-32(2)53(33(3)4)63(60-29-15-28-49)62-42-41(61-46(43(42)58-8)52-30-34(5)44(51-47(52)55)50-45(54)35-16-11-9-12-17-35)31-59-48(36-18-13-10-14-19-36,37-20-24-39(56-6)25-21-37)38-22-26-40(57-7)27-23-38/h9-14,16-27,30,32-33,41-43,46H,15,29,31H2,1-8H3,(H,50,51,54,55)/t41-,42-,43-,46-,63?/m1/s1
InChIKey
GIWYLFDPXKHBKT-AENBYTAOSA-N

Computed Properties

Structural Parameters

Heavy atom count
63
Aromatic heavy atom count
30
Fraction Csp3
0.38
Rotatable bonds
20
H-bond acceptors
13
H-bond donors
1
Molar refractivity
240.69
TPSA
155.63

LogP / Solubility

WLOGP
8.4
MLOGP
7.48
XLogP3
6.7
Consensus LogP
7.53
Log S (ESOL)
-9.61
Class (ESOL)
Insoluble
Log S (Ali)
-12.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.74
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)
-2.11

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
8

Customers Also Viewed

Get In Touch

Contact Us