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CAS 914361-76-5 7′-OH-N-trityl Morpholino thyMine molecular structure lightbox
CAS RN: 914361-76-5

7′-OH-N-trityl Morpholino thyMine

  • Product code: SSC-204569
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • 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 914361-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

914361-76-5 / 1-[(2R,6S)-6-(hydroxymethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione

Standard CAS: 914361-76-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
914361-76-5
Multi CAS
Yes
Molecular Formula
C29H29N3O4
Molecular Weight
483.600000
Exact Mass
483.215806
InChI
InChI=1S/C29H29N3O4/c1-21-17-32(28(35)30-27(21)34)26-19-31(18-25(20-33)36-26)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-17,25-26,33H,18-20H2,1H3,(H,30,34,35)/t25-,26+/m0/s1
InChIKey
SINOYLIIFJJPCM-IZZNHLLZSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
137.84
TPSA
87.56

LogP / Solubility

WLOGP
3.03
MLOGP
2.7
XLogP3
3.5
Consensus LogP
3.08
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.52

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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