[email protected]
CAS 113942-30-6 Temozolomide Acid molecular structure lightbox
CAS RN: 113942-30-6

Temozolomide Acid

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250401 25mg / 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251019 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-013886
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: 1g
  • Available purity: ≥97%
  • 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 113942-30-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

113942-30-6 / 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid

Temozolomide Acid | 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid | Temozolomide-8-carboxylic Acid

Standard CAS: 113942-30-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113942-30-6
Multi CAS
Yes
Molecular Formula
C6H5N5O3
Molecular Weight
195.140000
Exact Mass
195.039239
SMILES
CN1C(=O)N2C=NC(=C2N=N1)C(=O)O
InChI
InChI=1S/C6H5N5O3/c1-10-6(14)11-2-7-3(5(12)13)4(11)8-9-10/h2H,1H3,(H,12,13)
InChIKey
VVTMIOYTNALQAW-UHFFFAOYSA-N
Synonyms
Temozolomide Acid 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid Temozolomide-8-carboxylic Acid UNII-M35A7FW55W M35A7FW55W

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
1
Molar refractivity
42.98
TPSA
102.38

LogP / Solubility

WLOGP
-1.48
MLOGP
-1.3
XLogP3
-0.4
Consensus LogP
-1.06
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.09
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.18
Class (SILICOS-IT)
Highly 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)
-4.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral] H340 (85.7%): May cause genetic defects [Danger Germ cell mutagenicity] H350 (92.9%): May cause cancer [Danger Carcinogenicity] H360 (92.9%): May damage fertility or the unborn child [Danger Reproductive toxicity] H372 (85.7%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us