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CAS 444805-28-1 CMX 001 molecular structure lightbox
CAS RN: 444805-28-1

CMX 001

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250817 25mg / 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 100mg In stock Shanghai Inquiry
Batchno.20250121 250mg In stock Shanghai Inquiry
Batchno.20260303 50mg In stock Shanghai Inquiry
  • Product code: SSC-152507
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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: 0.25g
  • 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 444805-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

444805-28-1 / [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid

Standard CAS: 444805-28-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
444805-28-1
Multi CAS
Yes
Molecular Formula
C27H52N3O7P
Molecular Weight
561.700000
Exact Mass
561.354288
InChI
InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)/t25-/m0/s1
InChIKey
WXJFKKQWPMNTIM-VWLOTQADSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.85
Rotatable bonds
26
H-bond acceptors
9
H-bond donors
3
Molar refractivity
151.26
TPSA
146.13

LogP / Solubility

WLOGP
5.25
MLOGP
4.66
XLogP3
4.9
Consensus LogP
4.94
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42

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
5

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