C28H31N5O4
TL;DR: C28H31N5O4 (CAS 956626-18-9) is a chemical compound with molecular formula C28H31N5O4 and molecular weight 501.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S)-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl]-N-(3-morpholin-4-ylpropyl)benzamide
Also Known As: (S)-3-(11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)-N-(3-morpholinopropyl)benzamide, 3-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]-N-[3-(morpholin-4-yl)propyl]benzamide
| Molecular Formula | C28H31N5O4 |
|---|---|
| Molecular Weight | 501.24 g/mol |
| LogP | 2.8601 |
| Topological Polar Surface Area | 97.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.2376 |
| Heavy Atoms | 37 |
| Complexity | 1377.9045 |
Chemical Identifiers
| CAS Number | 956626-18-9 |
|---|---|
| SMILES | C[C@@]12C3=C(CCN1C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)NCCCN5CCOCC5)C6=CC=CC=C6N3 |
Product Overview
C28H31N5O4 (CAS 956626-18-9), with molecular formula C28H31N5O4 and molecular weight 501.24 g/mol. IUPAC: 3-[(2S)-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl]-N-(3-morpholin-4-ylpropyl)benzamide.
Chemical Property Profile of C28H31N5O4
Property Insights of C28H31N5O4
The XLogP value of 2.8601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C28H31N5O4. The TPSA of 97.98 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H31N5O4. Following Lipinski's Rule of Five, C28H31N5O4 has 2 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 C28H31N5O4?
The CAS number of C28H31N5O4 is 956626-18-9.
What is the molecular formula of C28H31N5O4?
The molecular formula of C28H31N5O4 is C28H31N5O4.
What is the molecular weight of C28H31N5O4?
The molecular weight of C28H31N5O4 is 501.24 g/mol.
Where can I buy C28H31N5O4?
You can request a quote for C28H31N5O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H31N5O4?
Yes, KEHONG BIO provides custom synthesis services for C28H31N5O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.