C29H25FN4O3
TL;DR: C29H25FN4O3 (CAS 956746-77-3) is a chemical compound with molecular formula C29H25FN4O3 and molecular weight 496.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-fluorophenyl)ethyl]-2-[(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]benzamide
Also Known As: (S)-N-(4-fluorophenethyl)-2-(11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)benzamide, N-[2-(4-fluorophenyl)ethyl]-2-[(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]benzamide
| Molecular Formula | C29H25FN4O3 |
|---|---|
| Molecular Weight | 496.19 g/mol |
| LogP | 4.5196 |
| Topological Polar Surface Area | 85.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.19107 |
| Heavy Atoms | 37 |
| Complexity | 1561.1814 |
Chemical Identifiers
| CAS Number | 956746-77-3 |
|---|---|
| SMILES | C[C@@]12C3=C(CCN1C(=O)N(C2=O)C4=CC=CC=C4C(=O)NCCC5=CC=C(C=C5)F)C6=CC=CC=C6N3 |
Product Overview
C29H25FN4O3 (CAS 956746-77-3), with molecular formula C29H25FN4O3 and molecular weight 496.19 g/mol. IUPAC: N-[2-(4-fluorophenyl)ethyl]-2-[(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]benzamide.
Chemical Property Profile of C29H25FN4O3
Property Insights of C29H25FN4O3
The XLogP value of 4.5196 indicates that C29H25FN4O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.51 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H25FN4O3. Following Lipinski's Rule of Five, C29H25FN4O3 has 2 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 C29H25FN4O3?
The CAS number of C29H25FN4O3 is 956746-77-3.
What is the molecular formula of C29H25FN4O3?
The molecular formula of C29H25FN4O3 is C29H25FN4O3.
What is the molecular weight of C29H25FN4O3?
The molecular weight of C29H25FN4O3 is 496.19 g/mol.
Where can I buy C29H25FN4O3?
You can request a quote for C29H25FN4O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H25FN4O3?
Yes, KEHONG BIO provides custom synthesis services for C29H25FN4O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.