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CAS 1127343-02-5 7’-O-(4,4’-Dimethoxytrityloxy)morpholino uracil molecular structure lightbox
CAS RN: 1127343-02-5

7’-O-(4,4’-Dimethoxytrityloxy)morpholino uracil

  • Product code: SSC-013060
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1127343-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1127343-02-5 / 1-[(2R,6S)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholin-2-yl]pyrimidine-2,4-dione

7'-O-DMT-morpholino uracil | orb1907560 | EX-A15449W

Standard CAS: 1127343-02-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1127343-02-5
Multi CAS
Yes
Molecular Formula
C30H31N3O6
Molecular Weight
529.600000
Exact Mass
529.221286
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4CNC[C@@H](O4)N5C=CC(=O)NC5=O
InChI
InChI=1S/C30H31N3O6/c1-36-24-12-8-22(9-13-24)30(21-6-4-3-5-7-21,23-10-14-25(37-2)15-11-23)38-20-26-18-31-19-28(39-26)33-17-16-27(34)32-29(33)35/h3-17,26,28,31H,18-20H2,1-2H3,(H,32,34,35)/t26-,28+/m0/s1
InChIKey
UGPQKHVBFWRQNB-XTEPFMGCSA-N
Synonyms
7'-O-DMT-morpholino uracil orb1907560 EX-A15449W DA-70358 ND180542

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
2
Molar refractivity
146.37
TPSA
103.81

LogP / Solubility

WLOGP
3.05
MLOGP
2.72
XLogP3
3.1
Consensus LogP
2.96
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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