C28H31N5O
TL;DR: C28H31N5O (CAS 848728-35-8) is a chemical compound with molecular formula C28H31N5O and molecular weight 453.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(4-butan-2-ylphenyl)-14-methyl-13-(3-methylbutyl)-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: 11-(4-(sec-butyl)phenyl)-3-isopentyl-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 11-[4-(butan-2-yl)phenyl]-2-methyl-3-(3-methylbutyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C28H31N5O |
|---|---|
| Molecular Weight | 453.25 g/mol |
| LogP | 6.15162 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.25287 |
| Heavy Atoms | 34 |
| Complexity | 1560.1962 |
Chemical Identifiers
| CAS Number | 848728-35-8 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CCC(C)C |
Product Overview
C28H31N5O (CAS 848728-35-8), with molecular formula C28H31N5O and molecular weight 453.25 g/mol. IUPAC: 17-(4-butan-2-ylphenyl)-14-methyl-13-(3-methylbutyl)-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 C28H31N5O
Property Insights of C28H31N5O
The XLogP value of 6.15162 indicates that C28H31N5O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H31N5O. Following Lipinski's Rule of Five, C28H31N5O has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H31N5O?
The CAS number of C28H31N5O is 848728-35-8.
What is the molecular formula of C28H31N5O?
The molecular formula of C28H31N5O is C28H31N5O.
What is the molecular weight of C28H31N5O?
The molecular weight of C28H31N5O is 453.25 g/mol.
Where can I buy C28H31N5O?
You can request a quote for C28H31N5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H31N5O?
Yes, KEHONG BIO provides custom synthesis services for C28H31N5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.