C27H28N6O
TL;DR: C27H28N6O (CAS 848993-02-2) is a chemical compound with molecular formula C27H28N6O and molecular weight 452.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-hexyl-14-methyl-17-[(E)-(3-methylphenyl)methylideneamino]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: (E)-3-hexyl-2-methyl-11-((3-methylbenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 3-hexyl-2-methyl-11-{[(E)-(3-methylphenyl)methylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C27H28N6O |
|---|---|
| Molecular Weight | 452.23 g/mol |
| LogP | 5.37374 |
| Topological Polar Surface Area | 77.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.23245 |
| Heavy Atoms | 34 |
| Complexity | 1594.4691 |
Chemical Identifiers
| CAS Number | 848993-02-2 |
|---|---|
| SMILES | CCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2/N=C/C5=CC=CC(=C5)C)C |
Product Overview
C27H28N6O (CAS 848993-02-2), with molecular formula C27H28N6O and molecular weight 452.23 g/mol. IUPAC: 13-hexyl-14-methyl-17-[(E)-(3-methylphenyl)methylideneamino]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of C27H28N6O
Property Insights of C27H28N6O
The XLogP value of 5.37374 indicates that C27H28N6O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.96 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H28N6O. Following Lipinski's Rule of Five, C27H28N6O has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H28N6O?
The CAS number of C27H28N6O is 848993-02-2.
What is the molecular formula of C27H28N6O?
The molecular formula of C27H28N6O is C27H28N6O.
What is the molecular weight of C27H28N6O?
The molecular weight of C27H28N6O is 452.23 g/mol.
Where can I buy C27H28N6O?
You can request a quote for C27H28N6O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H28N6O?
Yes, KEHONG BIO provides custom synthesis services for C27H28N6O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.