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CAS 956139-21-2 (6-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-4-tritylmorpholin-2-yl)methyl dimethylphosphoramidochloridate molecular structure lightbox
CAS RN: 956139-21-2

(6-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-4-tritylmorpholin-2-yl)methyl dimethylphosphoramidochloridate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250126 1g In stock Shanghai Inquiry
Batchno.20260511 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250311 5g In stock Shanghai Inquiry
  • Product code: SSC-211113
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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 956139-21-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

956139-21-2 / N-[1-[(2R,6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide

Standard CAS: 956139-21-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
956139-21-2
Multi CAS
Yes
Molecular Formula
C37H37CLN5O5P
Molecular Weight
698.100000
Exact Mass
697.222084
InChI
InChI=1S/C37H37ClN5O5P/c1-41(2)49(38,46)47-27-32-25-42(26-34(48-32)43-24-23-33(40-36(43)45)39-35(44)28-15-7-3-8-16-28)37(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-24,32,34H,25-27H2,1-2H3,(H,39,40,44,45)/t32-,34+,49?/m0/s1
InChIKey
RCQVHNTXMQCQLT-AUIRFOQBSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
30
Fraction Csp3
0.22
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
1
Molar refractivity
190.68
TPSA
106

LogP / Solubility

WLOGP
6.61
MLOGP
5.88
XLogP3
5.5
Consensus LogP
6
Log S (ESOL)
-8.06
Class (ESOL)
Insoluble
Log S (Ali)
-10.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.01
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)
-2.28

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

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