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CAS 52205-73-9 Estramustine sodium phosphate molecular structure lightbox
CAS RN: 52205-73-9

Estramustine sodium phosphate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250126 100mg In stock Shanghai Inquiry
Batchno.20250814 1g Out of stock Inquiry
Batchno.20250601 250mg In stock Shanghai Inquiry
  • Product code: SSC-159308
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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: ≥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 52205-73-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry

52205-73-9 / disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate

Standard CAS: 52205-73-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52205-73-9
Multi CAS
Yes
Molecular Formula
C23H30CL2NNA2O6P
Molecular Weight
564.300000
Exact Mass
563.098319
InChI
InChI=1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1
InChIKey
IIUMCNJTGSMNRO-VVSKJQCTSA-L

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
122.58
TPSA
101.96

LogP / Solubility

WLOGP
-1.96
MLOGP
-1.68
XLogP3
-1.96
Consensus LogP
-1.87
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.55

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
5.5

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