Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-
TL;DR: Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl- (CAS 87575-83-5) is a chemical compound with molecular formula C14H16N4O and molecular weight 256.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-2,1'-cyclopentane]-4-one
Also Known As: Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-, 3-methylspiro[10H-[1,3,5]triazino[1,2-a]benzimidazole-2,1'-cyclopentane]-4-one, 3'-Methyl-10'H-spiro[cyclopentane-1,2'-[1,3,5]triazino[1,2-a][1,3]benzimidazol]-4'(3'H)-one, 3-Methyl-4-oxo-1,2,3,4-tetrahydrospiro[1,3,5-triazino-[1,2-a]benzimidazole-2,1'-cyclopentane], 3-Methyl-4-oxo-1,2,3,4-tetrahydrospiro[1,3,5-triazino[1,2-a]benzimidazole-2,1'-cyclopentane]
| Molecular Formula | C14H16N4O |
|---|---|
| Molecular Weight | 256.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.13242 |
| Heavy Atoms | 19 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 87575-83-5 |
|---|---|
| SMILES | CN1C(=O)N2C3=CC=CC=C3N=C2NC14CCCC4 |
| InChIKey | RSTCJFYJBPUTDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl- (CAS 87575-83-5), with molecular formula C14H16N4O and molecular weight 256.13 g/mol. IUPAC: 3-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-2,1'-cyclopentane]-4-one.
Chemical Property Profile of Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-
Property Insights of Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-. With a topological polar surface area (TPSA) of 50.2 Ų, Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-?
The CAS number of Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl- is 87575-83-5.
What is the molecular formula of Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-?
The molecular formula of Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl- is C14H16N4O.
What is the molecular weight of Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-?
The molecular weight of Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl- is 256.13 g/mol.
Where can I buy Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-?
You can request a quote for Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.