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CAS 137281-23-3 Pemetrexed molecular structure lightbox
CAS RN: 137281-23-3

Pemetrexed

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14 package records13 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250825 1g In stock Inquiry
Batchno.20250731 250mg In stock Inquiry
Batchno.20260220 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 1g In stock Shanghai Inquiry
Batchno.20250202 25g Out of stock Inquiry
Batchno.20251104 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 100mg In stock Shanghai Inquiry
Batchno.20260511 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250423 1mg In stock Shanghai Inquiry
Batchno.20250701 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250216 5g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 1g In stock Inquiry
Batchno.20260419 250mg In stock Inquiry
Batchno.20260304 5g In stock Inquiry
  • Product code: SSC-046749
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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 137281-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

137281-23-3 / (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid

Standard CAS: 137281-23-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
137281-23-3
Multi CAS
No
Molecular Formula
C20H21N5O6
Molecular Weight
427.400000
Exact Mass
427.149183
SMILES
C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H21N5O6/c21-20-24-16-15(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/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
InChIKey
WBXPDJSOTKVWSJ-ZDUSSCGKSA-N

Physical Properties

Appearance
Crystals from 50% methanol/methylene chloride
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
6
Molar refractivity
110.74
TPSA
191.26

LogP / Solubility

WLOGP
0.67
MLOGP
0.61
XLogP3
0.2
Consensus LogP
0.49
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-4.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral] H341 (11.8%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H351 (88.2%): Suspected of causing cancer [Warning Carcinogenicity] H360 (97.1%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501

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