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CAS 357166-30-4 Pemetrexed disodium hemipentahydrate molecular structure lightbox
CAS RN: 357166-30-4

Pemetrexed disodium hemipentahydrate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250828 250mg In stock Shanghai Inquiry
Batchno.20250526 25g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250816 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-142770
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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: 5g
  • 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 357166-30-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

357166-30-4 / tetrasodium;bis((2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate);pentahydrate

Standard CAS: 357166-30-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
357166-30-4
Multi CAS
Yes
Molecular Formula
C40H48N10NA4O17
Molecular Weight
1032.800000
Exact Mass
1032.278967
InChI
InChI=1S/2C20H21N5O6.4Na.5H2O/c2*21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;;;;;;;;/h2*1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;;;5*1H2/q;;4*+1;;;;;/p-4/t2*13-;;;;;;;;;/m00........./s1
InChIKey
ZCTCZKWJFTYNMZ-WKUCUCPSSA-J

Computed Properties

Structural Parameters

Heavy atom count
71
Aromatic heavy atom count
30
Fraction Csp3
0.25
Rotatable bonds
18
H-bond acceptors
16
H-bond donors
8
Molar refractivity
229.03
TPSA
551.34

LogP / Solubility

WLOGP
-20.11
MLOGP
-17.6
XLogP3
-20.11
Consensus LogP
-19.27
Log S (ESOL)
7.3
Class (ESOL)
Highly soluble
Log S (Ali)
6.49
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
8.16
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-23.3

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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