C28H31N5O3
TL;DR: C28H31N5O3 (CAS 846582-41-0) is a chemical compound with molecular formula C28H31N5O3 and molecular weight 485.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[2-(3,4-dimethoxyphenyl)ethyl]-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-(3,4-dimethoxyphenethyl)-3-isopentyl-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 11-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(3-methylbutyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C28H31N5O3 |
|---|---|
| Molecular Weight | 485.24 g/mol |
| LogP | 4.90882 |
| Topological Polar Surface Area | 84.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.24268 |
| Heavy Atoms | 36 |
| Complexity | 1634.249 |
Chemical Identifiers
| CAS Number | 846582-41-0 |
|---|---|
| SMILES | CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCC5=CC(=C(C=C5)OC)OC)C(=O)N1CCC(C)C |
Product Overview
C28H31N5O3 (CAS 846582-41-0), with molecular formula C28H31N5O3 and molecular weight 485.24 g/mol. IUPAC: 17-[2-(3,4-dimethoxyphenyl)ethyl]-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 C28H31N5O3
Property Insights of C28H31N5O3
The XLogP value of 4.90882 indicates that C28H31N5O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.06 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H31N5O3. Following Lipinski's Rule of Five, C28H31N5O3 has 0 hydrogen bond donor(s) and 6 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 C28H31N5O3?
The CAS number of C28H31N5O3 is 846582-41-0.
What is the molecular formula of C28H31N5O3?
The molecular formula of C28H31N5O3 is C28H31N5O3.
What is the molecular weight of C28H31N5O3?
The molecular weight of C28H31N5O3 is 485.24 g/mol.
Where can I buy C28H31N5O3?
You can request a quote for C28H31N5O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H31N5O3?
Yes, KEHONG BIO provides custom synthesis services for C28H31N5O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.