[email protected]
CAS 152946-68-4 Nolatrexed dihydrochloride molecular structure lightbox
CAS RN: 152946-68-4

Nolatrexed dihydrochloride

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250828 100mg In stock Shanghai Inquiry
Batchno.20260225 250mg Out of stock Inquiry
Batchno.20250509 25mg In stock Shanghai Inquiry
Batchno.20250902 50mg In stock Shanghai Inquiry
  • Product code: SSC-062586
GET A QUOTE
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: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 152946-68-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

152946-68-4 / 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;dihydrochloride

Standard CAS: 152946-68-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
152946-68-4
Multi CAS
No
Molecular Formula
C14H14Cl2N4OS
Molecular Weight
357.300000
Exact Mass
356.026538
SMILES
CC1=C(C2=C(C=C1)N=C(NC2=O)N)SC3=CC=NC=C3.Cl.Cl
InChI
InChI=1S/C14H12N4OS.2ClH/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9;;/h2-7H,1H3,(H3,15,17,18,19);2*1H
InChIKey
PJKVJJYMWOCLIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
94.37
TPSA
84.66

LogP / Solubility

WLOGP
3.2
MLOGP
2.84
XLogP3
3.2
Consensus LogP
3.08
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H361 (97.9%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us